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

Systemtic Name: 2-ethyl-6-methyl-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-2-ethyl-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one CAS Name: 2-ethyl-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-pyridinone IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-2-ethyl-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)pyridin-4-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-2-ethyl-6-methyl-1-(2-piperidin-1-ium-1-ylethyl)-4-pyridone Formula: C27H39N4O2+ MolecularWeight: 451.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC[NH+]2CCCCC2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O2/c1-3-24-26(25(32)20-22(2)31(24)19-16-28-12-8-5-9-13-28)27(33)30-17-14-29(15-18-30)21-23-10-6-4-7-11-23/h4,6-7,10-11,20H,3,5,8-9,12-19,21H2,1-2H3/p+1