6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenethyl-1-(pyridin-2-ylmethyl)pyridin-4-one

Systemtic Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-phenethyl-1-(pyridin-2-ylmethyl)pyridin-4-one Openeye Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenethyl-1-(2-pyridylmethyl)pyridin-4-one CAS Name: 6-methyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-phenethyl-1-(2-pyridinylmethyl)-4-pyridinone IUPAC Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenethyl-1-(pyridin-2-ylmethyl)pyridin-4-one Traditional Name: 6-methyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-2-phenethyl-1-(2-pyridylmethyl)-4-pyridone Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C26H30N4O2/c1-20-18-24(31)25(26(32)29-16-14-28(2)15-17-29)23(12-11-21-8-4-3-5-9-21)30(20)19-22-10-6-7-13-27-22/h3-10,13,18H,11-12,14-17,19H2,1-2H3/p+1