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

Systemtic Name: 1-[2-(3-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-pyridin-4-one Openeye Name: 1-[2-(3-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyridin-4-one CAS Name: 1-[2-(3-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4-pyridinone IUPAC Name: 1-[2-(3-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)pyridin-4-one Traditional Name: 1-[2-(3-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4-pyridone Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCC2=CC(=CC=C2)Cl)COC)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCC2=CC(=CC=C2)Cl)COC)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28ClN3O3/c1-16-13-20(27)21(22(28)25-11-9-24(2)10-12-25)19(15-29-3)26(16)8-7-17-5-4-6-18(23)14-17/h4-6,13-14H,7-12,15H2,1-3H3/p+1