2-(4-methylpiperazin-4-ium-1-yl)benzenecarbothioamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)benzenecarbothioamide Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)benzenecarbothioamide CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)benzenecarbothioamide IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)benzenecarbothioamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)thiobenzamide Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2C(=S)N

InChI

InChI=1S/C12H17N3S/c1-14-6-8-15(9-7-14)11-5-3-2-4-10(11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)/p+1