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

Systemtic Name: 3-[(E)-5-[(3-aminophenyl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[(E)-5-(3-aminoanilino)-5-phenyl-pent-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[(E)-5-(3-aminoanilino)-1-oxo-5-phenylpent-2-enyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(E)-5-(3-aminoanilino)-5-phenylpent-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[(E)-5-(3-aminoanilino)-5-phenyl-pent-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)C=CCC(C3=CC=CC=C3)NC4=CC=CC(=C4)N)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)/C=C/CC(C3=CC=CC=C3)NC4=CC=CC(=C4)N)O

InChI

InChI=1S/C27H25N3O3/c1-30-23-15-6-5-13-21(23)26(32)25(27(30)33)24(31)16-8-14-22(18-9-3-2-4-10-18)29-20-12-7-11-19(28)17-20/h2-13,15-17,22,25,29H,14,28H2,1H3/p+1/b16-8+