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

Systemtic Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-pyridin-4-one CAS Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-6-methyl-1-o-anisyl-4-pyridone Formula: C28H34N3O3+ MolecularWeight: 460.58786

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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=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=CC=C2OC)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3/c1-4-24-27(25(32)18-21(2)31(24)20-23-12-8-9-13-26(23)34-3)28(33)30-16-14-29(15-17-30)19-22-10-6-5-7-11-22/h5-13,18H,4,14-17,19-20H2,1-3H3/p+1