3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indol-1-ium bromide

Systemtic Name: 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indol-1-ium bromide Openeye Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-1-ium bromide CAS Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indol-1-ium bromide IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-1-ium bromide Traditional Name: 5-(2-besylethyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-1-ium bromide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CC2=C[NH2+]C3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CN1CCC[C@@H]1CC2=C[NH2+]C3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1