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

Systemtic Name: 1-[[1-[6-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[6-[benzyl(methyl)amino]pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[[6-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]-oxomethyl]-4-piperidinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[6-[benzyl(methyl)amino]pyridin-1-ium-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[6-[benzyl(methyl)amino]pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]-2-pyrrolidone Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4CCCC4=O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4CCCC4=O

InChI

InChI=1S/C24H30N4O2/c1-26(17-19-6-3-2-4-7-19)22-10-9-21(16-25-22)24(30)27-14-11-20(12-15-27)18-28-13-5-8-23(28)29/h2-4,6-7,9-10,16,20H,5,8,11-15,17-18H2,1H3/p+1