1-[[1-[6-[(phenylmethyl)amino]pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[1-[6-[(phenylmethyl)amino]pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[6-(benzylamino)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[oxo-[6-[(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-4-piperidinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[6-(benzylamino)pyridin-1-ium-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[6-(benzylamino)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]-2-pyrrolidone Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2CCN(CC2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CC2CCN(CC2)C(=O)C3=C[NH+]=C(C=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c28-22-7-4-12-27(22)17-19-10-13-26(14-11-19)23(29)20-8-9-21(25-16-20)24-15-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19H,4,7,10-15,17H2,(H,24,25)/p+1