3-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-5-[(E)-2-(phenylsulfonyl)ethenyl]-1H-indole

Systemtic Name: 3-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-5-[(E)-2-(phenylsulfonyl)ethenyl]-1H-indole Openeye Name: 5-[(E)-2-(benzenesulfonyl)vinyl]-3-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole CAS Name: 5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2S)-1-methyl-2-pyrrolidin-1-iumyl]methyl]-1H-indole IUPAC Name: 5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole Traditional Name: 5-[(E)-2-besylvinyl]-3-[[(2S)-1-methylpyrrolidin-1-ium-2-yl]methyl]-1H-indole Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/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/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3/p+1/b13-11+/t19-/m0/s1