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

Systemtic Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-thiol; hydrogen sulfate Openeye Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-thiol; hydrogen sulfate CAS Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-thiol; hydrogen sulfate IUPAC Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-thiol; hydrogen sulfate Traditional Name: 2,4-dimethyl-1H-1,5-benzodiazepin-5-ium-8-thiol bisulfate Formula: C11H14N2O4S2 MolecularWeight: 302.36986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2S.H2O4S/c1-7-5-8(2)13-11-6-9(14)3-4-10(11)12-7;1-5(2,3)4/h3-6,13-14H,1-2H3;(H2,1,2,3,4)