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

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)benzenecarbothioamide Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)benzenecarbothioamide CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)benzenecarbothioamide IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)benzenecarbothioamide Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)thiobenzamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S/c1-2-15-7-9-16(10-8-15)12-6-4-3-5-11(12)13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17)/p+1