6-chloranyl-7-methyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C22H23ClN2O2/c1-15-5-3-4-6-20(15)25-9-7-24(8-10-25)14-17-12-22(26)27-21-11-16(2)19(23)13-18(17)21/h3-6,11-13H,7-10,14H2,1-2H3/p+1