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

Systemtic Name: 1-[[1-[6-(azocan-1-yl)pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[6-(azocan-1-yl)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[[6-(1-azocanyl)-3-pyridin-1-iumyl]-oxomethyl]-4-piperidinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[6-(azocan-1-yl)pyridin-1-ium-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[6-(azocan-1-yl)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]-2-pyrrolidone Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4CCCC4=O

Isomeric SMILES

C1CCCN(CCC1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CN4CCCC4=O

InChI

InChI=1S/C23H34N4O2/c28-22-7-6-14-27(22)18-19-10-15-26(16-11-19)23(29)20-8-9-21(24-17-20)25-12-4-2-1-3-5-13-25/h8-9,17,19H,1-7,10-16,18H2/p+1