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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[(2R)-2-(4-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=C(C=C1)C(CNC(=O)C2=CC=CC=C2SCC3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2S2/c1-29-20-12-10-19(11-13-20)23(27-14-4-5-15-27)17-26-25(28)22-8-2-3-9-24(22)31-18-21-7-6-16-30-21/h2-3,6-13,16,23H,4-5,14-15,17-18H2,1H3,(H,26,28)/p+1/t23-/m0/s1