4-azanyl-6-tert-butyl-3-[2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazinyl]-2H-1,2,4-triazin-4-ium-5-one

Systemtic Name: 4-azanyl-6-tert-butyl-3-[2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazinyl]-2H-1,2,4-triazin-4-ium-5-one Openeye Name: 4-amino-6-tert-butyl-3-[2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazino]-2H-1,2,4-triazin-4-ium-5-one CAS Name: 4-amino-6-tert-butyl-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylhydrazo)-2H-1,2,4-triazin-4-ium-5-one IUPAC Name: 4-amino-6-tert-butyl-3-[2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazinyl]-2H-1,2,4-triazin-4-ium-5-one Traditional Name: 4-amino-6-tert-butyl-3-[N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)hydrazino]-2H-1,2,4-triazin-4-ium-5-one Formula: C13H25N7O+2 MolecularWeight: 295.3839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=[N+](C1=O)N)NNC2=[NH+]CCCCC2

Isomeric SMILES

CC(C)(C)C1=NNC(=[N+](C1=O)N)NNC2=[NH+]CCCCC2

InChI

InChI=1S/C13H23N7O/c1-13(2,3)10-11(21)20(14)12(19-17-10)18-16-9-7-5-4-6-8-15-9/h4-8,14H2,1-3H3,(H2,15,16,17,18,19,21)/p+2