5-(2-ethylsulfonylethyl)-3-[(1-oxidanyl-1-propyl-pyrrolidin-1-ium-2-yl)methyl]-1H-indole

Systemtic Name: 5-(2-ethylsulfonylethyl)-3-[(1-oxidanyl-1-propyl-pyrrolidin-1-ium-2-yl)methyl]-1H-indole Openeye Name: 5-(2-ethylsulfonylethyl)-3-[(1-hydroxy-1-propyl-pyrrolidin-1-ium-2-yl)methyl]-1H-indole CAS Name: 5-(2-ethylsulfonylethyl)-3-[(1-hydroxy-1-propyl-2-pyrrolidin-1-iumyl)methyl]-1H-indole IUPAC Name: 5-(2-ethylsulfonylethyl)-3-[(1-hydroxy-1-propylpyrrolidin-1-ium-2-yl)methyl]-1H-indole Traditional Name: 5-(2-esylethyl)-3-[(1-hydroxy-1-propyl-pyrrolidin-1-ium-2-yl)methyl]-1H-indole Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2O3S/c1-3-10-22(23)11-5-6-18(22)14-17-15-21-20-8-7-16(13-19(17)20)9-12-26(24,25)4-2/h7-8,13,15,18,21,23H,3-6,9-12,14H2,1-2H3/q+1