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

Systemtic Name: 3-[[1-(cyclopropylmethyl)pyrrolidin-1-ium-1-yl]methyl]-5-[2-(phenylsulfonyl)ethyl]-1H-indole Openeye Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[1-(cyclopropylmethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[1-(cyclopropylmethyl)-1-pyrrolidin-1-iumyl]methyl]-1H-indole IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[1-(cyclopropylmethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 5-(2-besylethyl)-3-[[1-(cyclopropylmethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-indole Formula: C25H31N2O2S+ MolecularWeight: 423.59084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC2CC2)CC3=CNC4=C3C=C(C=C4)CCS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC[N+](C1)(CC2CC2)CC3=CNC4=C3C=C(C=C4)CCS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H31N2O2S/c28-30(29,23-6-2-1-3-7-23)15-12-20-10-11-25-24(16-20)22(17-26-25)19-27(13-4-5-14-27)18-21-8-9-21/h1-3,6-7,10-11,16-17,21,26H,4-5,8-9,12-15,18-19H2/q+1