3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]thiobenzamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C14H21N3S/c1-2-16-6-8-17(9-7-16)11-12-4-3-5-13(10-12)14(15)18/h3-5,10H,2,6-9,11H2,1H3,(H2,15,18)/p+1