1-butyl-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 1-butyl-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 1-butyl-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-hydroxy-3H-quinolin-1-ium-4-one CAS Name: 1-butyl-3-[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]-2-hydroxy-3H-quinolin-1-ium-4-one IUPAC Name: 1-butyl-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-2-hydroxy-3H-quinolin-1-ium-4-one Traditional Name: 1-butyl-3-[(E)-3-(4-dimethylaminophenyl)acryloyl]-2-hydroxy-3H-quinolin-1-ium-4-one Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)C=CC3=CC=C(C=C3)N(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-4-5-16-26-20-9-7-6-8-19(20)23(28)22(24(26)29)21(27)15-12-17-10-13-18(14-11-17)25(2)3/h6-15,22H,4-5,16H2,1-3H3/p+1/b15-12+