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

Systemtic Name: 6,7-dimethyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 4-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-6,7-dimethyl-coumarin Formula: C25H31N2O4S+ MolecularWeight: 455.58964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C)C

InChI

InChI=1S/C25H30N2O4S/c1-16-10-19(4)25(20(5)11-16)32(29,30)27-8-6-26(7-9-27)15-21-14-24(28)31-23-13-18(3)17(2)12-22(21)23/h10-14H,6-9,15H2,1-5H3/p+1