4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C

InChI

InChI=1S/C24H26N2O3/c1-16-12-22-20(14-24(28)29-23(22)13-17(16)2)15-25-8-10-26(11-9-25)21-6-4-19(5-7-21)18(3)27/h4-7,12-14H,8-11,15H2,1-3H3/p+1