1-methyl-3-[(E)-5-[(5-methyl-2-oxidanyl-phenyl)amino]-5-phenyl-pent-2-enoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-3-[(E)-5-[(5-methyl-2-oxidanyl-phenyl)amino]-5-phenyl-pent-2-enoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-3-[(E)-5-(2-hydroxy-5-methyl-anilino)-5-phenyl-pent-2-enoyl]-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[(E)-5-(2-hydroxy-5-methylanilino)-1-oxo-5-phenylpent-2-enyl]-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-3-[(E)-5-(2-hydroxy-5-methylanilino)-5-phenylpent-2-enoyl]-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[(E)-5-(2-hydroxy-5-methyl-anilino)-5-phenyl-pent-2-enoyl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C28H27N2O4+ MolecularWeight: 455.52498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(CC=CC(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(C/C=C/C(=O)C2C(=O)C3=CC=CC=C3[N+](=C2O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4/c1-18-15-16-24(31)22(17-18)29-21(19-9-4-3-5-10-19)12-8-14-25(32)26-27(33)20-11-6-7-13-23(20)30(2)28(26)34/h3-11,13-17,21,26,29,31H,12H2,1-2H3/p+1/b14-8+