N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]thiophene-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]thiophene-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]thiophene-2-carboxamide Formula: C20H27N2OS+ MolecularWeight: 343.50618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H26N2OS/c1-16-8-10-17(11-9-16)18(22-12-4-2-3-5-13-22)15-21-20(23)19-7-6-14-24-19/h6-11,14,18H,2-5,12-13,15H2,1H3,(H,21,23)/p+1/t18-/m0/s1