N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2S/c21-19(25)15-27-18-9-5-4-8-17(18)22-20(26)14-23-10-12-24(13-11-23)16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,21,25)(H,22,26)/p+1