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

Systemtic Name: N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-methylsulfanylethyl)-2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(methylthio)ethyl]-2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CSCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H25N3O2S/c1-26-11-9-21-19(24)13-18-20(25)22-8-10-23(18)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/p+1/t18-/m1/s1