N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3S/c1-14-5-2-3-11-19(14)12-4-10-18-17(21)13-24-16-8-6-15(7-9-16)20(22)23/h6-9,14H,2-5,10-13H2,1H3,(H,18,21)/p+1/t14-/m0/s1