3-oxidanylidenebutanamide; phenyl 10-methylacridin-10-ium-9-carboxylate; chloride

Systemtic Name: 3-oxidanylidenebutanamide; phenyl 10-methylacridin-10-ium-9-carboxylate; chloride Openeye Name: 3-oxobutanamide; phenyl 10-methylacridin-10-ium-9-carboxylate; chloride CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid phenyl ester; 3-oxobutanamide; chloride IUPAC Name: 3-oxobutanamide; phenyl 10-methylacridin-10-ium-9-carboxylate; chloride Traditional Name: acetoacetamide; 10-methylacridin-10-ium-9-carboxylic acid phenyl ester; chloride Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N.C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(=O)CC(=O)N.C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H16NO2.C4H7NO2.ClH/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(23)24-15-9-3-2-4-10-15;1-3(6)2-4(5)7;/h2-14H,1H3;2H2,1H3,(H2,5,7);1H/q+1;;/p-1