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

Systemtic Name: 3-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole Openeye Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole CAS Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methyl-2-pyrrolidin-1-iumyl]methyl]-1H-indole IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole Traditional Name: 5-(2-besylethyl)-3-[[(2R)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O2S/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/p+1/t19-/m1/s1