N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-methoxyphenyl)acetamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-25-18-10-8-17(9-11-18)15-21(24)22-16-19(20-7-6-14-26-20)23-12-4-2-3-5-13-23/h6-11,14,19H,2-5,12-13,15-16H2,1H3,(H,22,24)/p+1/t19-/m0/s1