5,7-dimethyl-6-nitro-2,3-dihydro-1H-1,4-diazepin-4-ium perchlorate

Systemtic Name: 5,7-dimethyl-6-nitro-2,3-dihydro-1H-1,4-diazepin-4-ium perchlorate Openeye Name: 5,7-dimethyl-6-nitro-2,3-dihydro-1H-1,4-diazepin-4-ium perchlorate CAS Name: 5,7-dimethyl-6-nitro-2,3-dihydro-1H-1,4-diazepin-4-ium perchlorate IUPAC Name: 5,7-dimethyl-6-nitro-2,3-dihydro-1H-1,4-diazepin-4-ium perchlorate Traditional Name: 5,7-dimethyl-6-nitro-2,3-dihydro-1H-1,4-diazepin-4-ium perchlorate Formula: C7H12ClN3O6 MolecularWeight: 269.63968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]CCN1)C)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C(C(=[NH+]CCN1)C)[N+](=O)[O-].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C7H11N3O2.ClHO4/c1-5-7(10(11)12)6(2)9-4-3-8-5;2-1(3,4)5/h8H,3-4H2,1-2H3;(H,2,3,4,5)