1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Traditional Name: 1-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)C

InChI

InChI=1S/C26H26N2O2/c1-18-6-5-9-23(19(18)2)28-14-12-27(13-15-28)17-21-16-25(29)30-24-11-10-20-7-3-4-8-22(20)26(21)24/h3-11,16H,12-15,17H2,1-2H3/p+1