N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-thenylthio)benzamide Formula: C25H29N2O2S2+ MolecularWeight: 453.63996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC=CC=C2SCC3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC=CC=C2SCC3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C25H28N2O2S2/c1-29-23-12-4-2-10-20(23)22(27-14-6-7-15-27)17-26-25(28)21-11-3-5-13-24(21)31-18-19-9-8-16-30-19/h2-5,8-13,16,22H,6-7,14-15,17-18H2,1H3,(H,26,28)/p+1/t22-/m0/s1