N-(4-ethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-ethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-ethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-ethylphenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-ethylphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(4-ethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N3S/c1-3-12-4-6-13(7-5-12)15-14(18)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3,(H,15,18)/p+1