(2R)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: (2R)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: (2R)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: (2R)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: (2R)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: (2R)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CC3=CC=CC=C3S2)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)[C@H]2CC3=CC=CC=C3S2)[NH+]4CCCCC4

InChI

InChI=1S/C23H28N2O2S/c1-27-19-11-9-17(10-12-19)20(25-13-5-2-6-14-25)16-24-23(26)22-15-18-7-3-4-8-21(18)28-22/h3-4,7-12,20,22H,2,5-6,13-16H2,1H3,(H,24,26)/p+1/t20-,22+/m0/s1