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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)benzenecarbothioamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)benzenecarbothioamide CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)benzenecarbothioamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)benzenecarbothioamide Traditional Name: 3-(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(=C2)C(=S)N

Isomeric SMILES

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

InChI

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