1-ethyl-6-methyl-3-[(S)-(4-methylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-oxidanyl-pyridin-4-one

Systemtic Name: 1-ethyl-6-methyl-3-[(S)-(4-methylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-2-oxidanyl-pyridin-4-one Openeye Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-p-tolyl-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-4-one CAS Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-(4-methylphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4-pyridinone IUPAC Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-(4-methylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyridin-4-one Traditional Name: 1-ethyl-2-hydroxy-6-methyl-3-[(S)-p-tolyl-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-pyridone Formula: C25H32N4O2+2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)C(=C1O)C(C2=CC=C(C=C2)C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CCN1C(=CC(=O)C(=C1O)[C@H](C2=CC=C(C=C2)C)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C25H30N4O2/c1-4-29-19(3)17-21(30)23(25(29)31)24(20-10-8-18(2)9-11-20)28-15-13-27(14-16-28)22-7-5-6-12-26-22/h5-12,17,24,31H,4,13-16H2,1-3H3/p+2/t24-/m0/s1