2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one

Systemtic Name: 2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one Openeye Name: 2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one CAS Name: 2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 2-cyclopropyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one Traditional Name: 2-cyclopropyl-6-methyl-1-o-anisyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4-pyridone Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC=C2OC)C3CC3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=C2OC)C3CC3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H30N4O3/c1-19-17-22(32)25(27(33)30-15-13-29(14-16-30)24-9-5-6-12-28-24)26(20-10-11-20)31(19)18-21-7-3-4-8-23(21)34-2/h3-9,12,17,20H,10-11,13-16,18H2,1-2H3/p+1