6-methyl-3-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-2-olate

Systemtic Name: 6-methyl-3-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-2-olate Openeye Name: 6-methyl-4-oxo-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]-1-(3-pyridylmethyl)pyridin-2-olate CAS Name: 6-methyl-3-[(S)-(4-methylphenyl)-(4-phenyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-(3-pyridinylmethyl)-2-pyridinolate IUPAC Name: 6-methyl-3-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-4-oxo-1-(pyridin-3-ylmethyl)pyridin-2-olate Traditional Name: 4-keto-6-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]-1-(3-pyridylmethyl)pyridin-2-olate Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N(C(=CC2=O)C)CC3=CN=CC=C3)[O-])[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=C(N(C(=CC2=O)C)CC3=CN=CC=C3)[O-])[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2/c1-22-10-12-25(13-11-22)29(33-17-15-32(16-18-33)26-8-4-3-5-9-26)28-27(35)19-23(2)34(30(28)36)21-24-7-6-14-31-20-24/h3-14,19-20,29,36H,15-18,21H2,1-2H3/t29-/m0/s1