2-[2-(cyclopentylmethyl)-6-methyl-4-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxo-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-pyridyl]ethyl-dimethyl-ammonium CAS Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxo-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-pyridinyl]ethyl-dimethylammonium IUPAC Name: 2-[2-(cyclopentylmethyl)-6-methyl-4-oxo-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-(cyclopentylmethyl)-4-keto-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-pyridyl]ethyl-dimethyl-ammonium Formula: C26H39N5O2+2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CC2CCCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CC2CCCC2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H37N5O2/c1-20-18-23(32)25(22(19-21-8-4-5-9-21)31(20)17-12-28(2)3)26(33)30-15-13-29(14-16-30)24-10-6-7-11-27-24/h6-7,10-11,18,21H,4-5,8-9,12-17,19H2,1-3H3/p+2