2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium perchlorate

Systemtic Name: 2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium perchlorate Openeye Name: 2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium perchlorate CAS Name: 2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium perchlorate IUPAC Name: 2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium perchlorate Traditional Name: 2-methyl-4-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium perchlorate Formula: C11H10ClF3N2O4 MolecularWeight: 326.65631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C2N1)C(F)(F)F.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C2N1)C(F)(F)F.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H9F3N2.ClHO4/c1-7-6-10(11(12,13)14)16-9-5-3-2-4-8(9)15-7;2-1(3,4)5/h2-6,15H,1H3;(H,2,3,4,5)