N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(thiazol-4-ylmethylthio)benzamide Formula: C24H28N3O2S2+ MolecularWeight: 454.62802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2SCC3=CSC=N3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2SCC3=CSC=N3)[NH+]4CCCC4

InChI

InChI=1S/C24H27N3O2S2/c1-29-20-10-8-18(9-11-20)22(27-12-4-5-13-27)14-25-24(28)21-6-2-3-7-23(21)31-16-19-15-30-17-26-19/h2-3,6-11,15,17,22H,4-5,12-14,16H2,1H3,(H,25,28)/p+1/t22-/m0/s1