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

Systemtic Name: 6-methyl-3-[(S)-(4-methylphenyl)-piperidin-1-ium-1-yl-methyl]-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-2-olate Openeye Name: 6-methyl-4-oxo-3-[(S)-piperidin-1-ium-1-yl(p-tolyl)methyl]-1-(3-pyridylmethyl)pyridin-2-olate CAS Name: 6-methyl-3-[(S)-(4-methylphenyl)-(1-piperidin-1-iumyl)methyl]-4-oxo-1-(3-pyridinylmethyl)-2-pyridinolate IUPAC Name: 6-methyl-3-[(S)-(4-methylphenyl)-piperidin-1-ium-1-ylmethyl]-4-oxo-1-(pyridin-3-ylmethyl)pyridin-2-olate Traditional Name: 4-keto-6-methyl-3-[(S)-piperidin-1-ium-1-yl(p-tolyl)methyl]-1-(3-pyridylmethyl)pyridin-2-olate Formula: C25H29N3O2 MolecularWeight: 403.51666

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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+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=C(N(C(=CC2=O)C)CC3=CN=CC=C3)[O-])[NH+]4CCCCC4

InChI

InChI=1S/C25H29N3O2/c1-18-8-10-21(11-9-18)24(27-13-4-3-5-14-27)23-22(29)15-19(2)28(25(23)30)17-20-7-6-12-26-16-20/h6-12,15-16,24,30H,3-5,13-14,17H2,1-2H3/t24-/m0/s1