N-[4-(cyanomethyl)phenyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-1-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-benzyl-N-[4-(cyanomethyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-1-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[4-(cyanomethyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-benzyl-N-[4-(cyanomethyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)CC#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c22-13-10-17-6-8-20(9-7-17)23-21(25)19-11-14-24(15-12-19)16-18-4-2-1-3-5-18/h1-9,19H,10-12,14-16H2,(H,23,25)/p+1