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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)carbonylbenzenecarbothioamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)benzenecarbothioamide CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]benzenecarbothioamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)benzenecarbothioamide Traditional Name: 4-(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=C(C=C2)C(=S)N

Isomeric SMILES

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

InChI

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