3,4-diethoxy-N-[(1R,2R)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]benzenesulfonamide

Systemtic Name: 3,4-diethoxy-N-[(1R,2R)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]benzenesulfonamide Openeye Name: 3,4-diethoxy-N-[(1R,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 3,4-diethoxy-N-[(1R,2R)-1-phenyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]benzenesulfonamide IUPAC Name: 3,4-diethoxy-N-[(1R,2R)-1-phenyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl]benzenesulfonamide Traditional Name: 3,4-diethoxy-N-[(1R,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide Formula: C23H33N2O4S+ MolecularWeight: 433.58412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CC=C2)[NH+]3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N[C@H](C)[C@@H](C2=CC=CC=C2)[NH+]3CCCC3)OCC

InChI

InChI=1S/C23H32N2O4S/c1-4-28-21-14-13-20(17-22(21)29-5-2)30(26,27)24-18(3)23(25-15-9-10-16-25)19-11-7-6-8-12-19/h6-8,11-14,17-18,23-24H,4-5,9-10,15-16H2,1-3H3/p+1/t18-,23+/m1/s1