N-(2,3-dimethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CC[NH+](CC2)C)C

InChI

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