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

Systemtic Name: 4-cyano-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-cyano-benzamide CAS Name: 4-cyano-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-cyanobenzamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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