N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC3=CC=CC=C3S2)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC3=CC=CC=C3S2)[NH+]4CCCC4

InChI

InChI=1S/C22H24N2O2S/c1-26-19-10-4-3-9-17(19)18(24-12-6-7-13-24)15-23-22(25)21-14-16-8-2-5-11-20(16)27-21/h2-5,8-11,14,18H,6-7,12-13,15H2,1H3,(H,23,25)/p+1/t18-/m0/s1