2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate

Systemtic Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate Openeye Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate CAS Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate IUPAC Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium; hydrogen sulfate Traditional Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium bisulfate Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2.H2O4S/c1-8-7-9(2)13-11-6-4-3-5-10(11)12-8;1-5(2,3)4/h3-7,12H,1-2H3;(H2,1,2,3,4)