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

Systemtic Name: 3-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzenecarbothioamide Openeye Name: 3-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzenecarbothioamide CAS Name: 3-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzenecarbothioamide IUPAC Name: 3-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzenecarbothioamide Traditional Name: 3-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiobenzamide Formula: C20H24BrN2OS+ MolecularWeight: 420.38636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)C2=CC(=CC=C2)Br)[NH+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2OS/c1-24-18-9-7-15(8-10-18)19(23-11-2-3-12-23)14-22-20(25)16-5-4-6-17(21)13-16/h4-10,13,19H,2-3,11-12,14H2,1H3,(H,22,25)/p+1/t19-/m0/s1