(3S)-1-[(2-cyanophenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-cyanophenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-cyanophenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-cyanophenyl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-cyanophenyl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-cyanobenzyl)-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O/c21-13-16-7-4-5-8-17(16)14-23-12-6-9-18(15-23)20(24)22-19-10-2-1-3-11-19/h1-5,7-8,10-11,18H,6,9,12,14-15H2,(H,22,24)/p+1/t18-/m0/s1