3-cyano-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 3-cyano-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-cyano-benzamide CAS Name: 3-cyano-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-cyanobenzamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-cyano-benzamide Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3O/c21-13-17-8-4-9-18(12-17)20(24)22-19-10-5-11-23(15-19)14-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,14-15H2,(H,22,24)/p+1/t19-/m0/s1