1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one

Systemtic Name: 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one Openeye Name: 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one CAS Name: 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one Traditional Name: 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4-pyridone Formula: C26H30ClN4O3+ MolecularWeight: 481.9944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCC2=CC=CC=C2Cl)COC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCC2=CC=CC=C2Cl)COC)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H29ClN4O3/c1-19-17-23(32)25(22(18-34-2)31(19)12-10-20-7-3-4-8-21(20)27)26(33)30-15-13-29(14-16-30)24-9-5-6-11-28-24/h3-9,11,17H,10,12-16,18H2,1-2H3/p+1