4-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzenesulfonamide Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCC3

InChI

InChI=1S/C19H23BrN2O3S/c1-25-17-8-4-15(5-9-17)19(22-12-2-3-13-22)14-21-26(23,24)18-10-6-16(20)7-11-18/h4-11,19,21H,2-3,12-14H2,1H3/p+1/t19-/m0/s1