3-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[(E)-3-(2,5-dimethylphenyl)acryloyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C21H20NO3+ MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-13-8-9-14(2)15(12-13)10-11-18(23)19-20(24)16-6-4-5-7-17(16)22(3)21(19)25/h4-12,19H,1-3H3/p+1/b11-10+