4-methyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-methyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-[3-(methylthio)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-methyl-N-[3-(methylthio)phenyl]piperazin-4-ium-1-carboxamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C13H19N3OS/c1-15-6-8-16(9-7-15)13(17)14-11-4-3-5-12(10-11)18-2/h3-5,10H,6-9H2,1-2H3,(H,14,17)/p+1