[1-methyl-3-(1-methylpiperidin-1-ium-4-yl)indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate

Systemtic Name: [1-methyl-3-(1-methylpiperidin-1-ium-4-yl)indol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [1-methyl-3-(1-methylpiperidin-1-ium-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [1-methyl-3-(1-methyl-4-piperidin-1-iumyl)-5-indolyl] ester IUPAC Name: [1-methyl-3-(1-methylpiperidin-1-ium-4-yl)indol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [1-methyl-3-(1-methylpiperidin-1-ium-4-yl)indol-5-yl] ester Formula: C21H23F2N2O3S+ MolecularWeight: 421.480726

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)C

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CN(C3=C2C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F)C

InChI

InChI=1S/C21H22F2N2O3S/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23/h3-7,12-14H,8-11H2,1-2H3/p+1