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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-chlorophenyl)acetamide Formula: C20H26ClN2OS+ MolecularWeight: 377.95124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)CC2=CC=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)CC2=CC=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C20H25ClN2OS/c21-17-9-7-16(8-10-17)14-20(24)22-15-18(19-6-5-13-25-19)23-11-3-1-2-4-12-23/h5-10,13,18H,1-4,11-12,14-15H2,(H,22,24)/p+1/t18-/m0/s1