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

Systemtic Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-1-ium perchlorate Openeye Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-1-ium perchlorate CAS Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-1-ium perchlorate IUPAC Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-1-ium perchlorate Traditional Name: 5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-1-ium perchlorate Formula: C7H13ClN2O4 MolecularWeight: 224.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NCC[NH2+]1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=NCC[NH2+]1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C7H12N2.ClHO4/c1-6-5-7(2)9-4-3-8-6;2-1(3,4)5/h5,8H,3-4H2,1-2H3;(H,2,3,4,5)