N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-methoxy-benzamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-methoxy-benzamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-methoxy-benzamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-3-methoxybenzamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-methoxybenzamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-methoxy-benzamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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