7,8-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4C)C

InChI

InChI=1S/C23H26N2O2/c1-16-8-9-20-19(14-22(26)27-23(20)18(16)3)15-24-10-12-25(13-11-24)21-7-5-4-6-17(21)2/h4-9,14H,10-13,15H2,1-3H3/p+1