2-(1-methylbenzimidazol-2-yl)sulfanyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)ethanehydrazide

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)ethanehydrazide Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)acetohydrazide CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)acetohydrazide IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)acetohydrazide Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)acetohydrazide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NNC3=[NH+]CCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)NNC3=[NH+]CCCCC3

InChI

InChI=1S/C16H21N5OS/c1-21-13-8-5-4-7-12(13)18-16(21)23-11-15(22)20-19-14-9-3-2-6-10-17-14/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19)(H,20,22)/p+1