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

Systemtic Name: 3-[(1-methyl-1-oxidanidyl-pyrrolidin-1-ium-2-yl)methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole Openeye Name: 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methyl-1-oxido-pyrrolidin-1-ium-2-yl)methyl]-1H-indole CAS Name: 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methyl-1-oxido-2-pyrrolidin-1-iumyl)methyl]-1H-indole IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)methyl]-1H-indole Traditional Name: 5-(2-besylethyl)-3-[(1-methyl-1-oxido-pyrrolidin-1-ium-2-yl)methyl]-1H-indole Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-24(25)12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-28(26,27)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3