N-(3-methylsulfanylpropyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylpropyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-methylsulfanylpropyl)-2-[(2R)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(methylthio)propyl]-2-[(2R)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylsulfanylpropyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(1-naphthylmethyl)piperazin-1-ium-2-yl]-N-[3-(methylthio)propyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CSCCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H27N3O2S/c1-27-13-5-10-22-20(25)14-19-21(26)23-11-12-24(19)15-17-8-4-7-16-6-2-3-9-18(16)17/h2-4,6-9,19H,5,10-15H2,1H3,(H,22,25)(H,23,26)/p+1/t19-/m1/s1