4-(1-ethylbenzimidazol-2-yl)-4-(oxolan-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1-ethylbenzimidazol-2-yl)-4-(oxolan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1-ethylbenzimidazol-2-yl)-4-(tetrahydrofuran-2-ylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1-ethyl-2-benzimidazolyl)-4-(2-oxolanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1-ethylbenzimidazol-2-yl)-4-(oxolan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(1-ethylbenzimidazol-2-yl)-4-(tetrahydrofurfuryl)piperazin-4-ium-1-carbothioamide Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)CC4CCCO4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1[N+]3(CCN(CC3)C(=S)N)CC4CCCO4

InChI

InChI=1S/C19H27N5OS/c1-2-23-17-8-4-3-7-16(17)21-19(23)24(14-15-6-5-13-25-15)11-9-22(10-12-24)18(20)26/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H-,20,26)/p+1