4-(1-ethylbenzimidazol-2-yl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1-ethylbenzimidazol-2-yl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-ethylbenzimidazol-2-yl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-ethyl-2-benzimidazolyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-ethylbenzimidazol-2-yl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-ethylbenzimidazol-2-yl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C15H22N5S+ MolecularWeight: 304.43368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)C

InChI

InChI=1S/C15H21N5S/c1-3-19-13-7-5-4-6-12(13)17-15(19)20(2)10-8-18(9-11-20)14(16)21/h4-7H,3,8-11H2,1-2H3,(H-,16,21)/p+1