hydrogen sulfate; 8-methoxy-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium

Systemtic Name: hydrogen sulfate; 8-methoxy-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium Openeye Name: hydrogen sulfate; 8-methoxy-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium CAS Name: hydrogen sulfate; 8-methoxy-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium IUPAC Name: hydrogen sulfate; 8-methoxy-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium Traditional Name: 8-methoxy-2,4-dimethyl-1H-1,5-benzodiazepin-5-ium bisulfate Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)OC)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[NH+]C2=C(N1)C=C(C=C2)OC)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C12H14N2O.H2O4S/c1-8-6-9(2)14-12-7-10(15-3)4-5-11(12)13-8;1-5(2,3)4/h4-7,14H,1-3H3;(H2,1,2,3,4)