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

Systemtic Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one CAS Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[oxo-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one Traditional Name: 2-ethyl-6-methyl-1-o-anisyl-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-carbonyl]-4-pyridone Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2=CC=CC=C2OC)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=CC=C2OC)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H32N4O3/c1-4-23-26(24(32)17-20(2)31(23)18-21-9-5-6-11-25(21)34-3)27(33)30-15-13-29(14-16-30)19-22-10-7-8-12-28-22/h5-12,17H,4,13-16,18-19H2,1-3H3/p+1