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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H26N2O2S/c1-24-17-10-8-16(9-11-17)18(22-12-4-2-3-5-13-22)15-21-20(23)19-7-6-14-25-19/h6-11,14,18H,2-5,12-13,15H2,1H3,(H,21,23)/p+1/t18-/m0/s1