(4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate

Systemtic Name: (4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Openeye Name: (4,8-dimethyl-2-oxo-chromen-7-yl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid (4,8-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4,8-dimethyl-2-oxochromen-7-yl) 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoic acid (2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C23H25N2O6S+ MolecularWeight: 457.5194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H24N2O6S/c1-15-13-21(26)31-22-16(2)20(8-7-19(15)22)30-23(27)17-5-4-6-18(14-17)32(28,29)25-11-9-24(3)10-12-25/h4-8,13-14H,9-12H2,1-3H3/p+1