[C-(3,4-dihydro-1H-isoquinolin-2-yl)carbonimidoyl]azanium sulfate

Systemtic Name: [C-(3,4-dihydro-1H-isoquinolin-2-yl)carbonimidoyl]azanium sulfate Openeye Name: 3,4-dihydro-1H-isoquinoline-2-carboximidoylammonium sulfate CAS Name: [3,4-dihydro-1H-isoquinolin-2-yl(imino)methyl]ammonium sulfate IUPAC Name: 3,4-dihydro-1H-isoquinoline-2-carboximidoylazanium sulfate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboximidoylammonium sulfate Formula: C20H28N6O4S MolecularWeight: 448.53912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=N)[NH3+].C1CN(CC2=CC=CC=C21)C(=N)[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=N)[NH3+].C1CN(CC2=CC=CC=C21)C(=N)[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)