1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(4-benzylpiperidino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C20H23N3O2/c21-20(25)18-7-4-10-22(14-18)15-19(24)23-11-8-17(9-12-23)13-16-5-2-1-3-6-16/h1-7,10,14,17H,8-9,11-13,15H2,(H-,21,25)/p+1