3-(4-methylpiperazin-4-ium-1-yl)carbonylbenzenecarbothioamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonylbenzenecarbothioamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)benzenecarbothioamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenecarbothioamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)benzenecarbothioamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)thiobenzamide Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)C(=S)N

InChI

InChI=1S/C13H17N3OS/c1-15-5-7-16(8-6-15)13(17)11-4-2-3-10(9-11)12(14)18/h2-4,9H,5-8H2,1H3,(H2,14,18)/p+1