2-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one

Systemtic Name: 2-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Openeye Name: 2-ethyl-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one CAS Name: 2-ethyl-3-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-6-methyl-1-[2-(1-piperidin-1-iumyl)ethyl]-4-pyridinone IUPAC Name: 2-ethyl-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Traditional Name: 2-ethyl-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)-4-pyridone Formula: C27H39N4O3+ MolecularWeight: 467.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H38N4O3/c1-4-24-26(25(32)19-21(2)31(24)18-13-28-11-6-5-7-12-28)27(33)30-16-14-29(15-17-30)22-9-8-10-23(20-22)34-3/h8-10,19-20H,4-7,11-18H2,1-3H3/p+1