N-(3-methylsulfanylphenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(3-methylsulfanylphenyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: 4-keto-N-[3-(methylthio)phenyl]-4-piperazin-4-ium-1-yl-butyramide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H21N3O2S/c1-21-13-4-2-3-12(11-13)17-14(19)5-6-15(20)18-9-7-16-8-10-18/h2-4,11,16H,5-10H2,1H3,(H,17,19)/p+1