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

Systemtic Name: 1-(furan-2-ylmethyl)-6-methyl-3-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-pyridin-2-olate Openeye Name: 1-(2-furylmethyl)-6-methyl-4-oxo-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]pyridin-2-olate CAS Name: 1-(2-furanylmethyl)-6-methyl-3-[(S)-(4-methylphenyl)-(4-phenyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-pyridinolate IUPAC Name: 1-(furan-2-ylmethyl)-6-methyl-3-[(S)-(4-methylphenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-4-oxopyridin-2-olate Traditional Name: 1-(2-furfuryl)-4-keto-6-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(p-tolyl)methyl]pyridin-2-olate Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(N(C(=CC2=O)C)CC3=CC=CO3)[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=CC=CO3)[O-])[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-21-10-12-23(13-11-21)28(31-16-14-30(15-17-31)24-7-4-3-5-8-24)27-26(33)19-22(2)32(29(27)34)20-25-9-6-18-35-25/h3-13,18-19,28,34H,14-17,20H2,1-2H3/t28-/m0/s1