Source code:
@Grab(group='org.openscience.cdk', module='cdk-bundle', version='2.9')
import org.openscience.cdk.smiles.SmilesGenerator;
import org.openscience.cdk.interfaces.*;
import org.openscience.cdk.*;
import org.openscience.cdk.templates.*;
import org.openscience.cdk.tools.*;
import org.openscience.cdk.tools.manipulator.*;
import org.openscience.cdk.aromaticity.*;
mol = MoleculeFactory.makePhenylAmine()
AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
CDKHueckelAromaticityDetector.detectAromaticity(mol);
hAdder = CDKHydrogenAdder.getInstance(mol.getBuilder())
hAdder.addImplicitHydrogens(mol)
generator = SmilesGenerator.unique()
smiles = generator.createSMILES(mol)
println "$smiles"
Output:
NC=1C=CC=CC1