3,4-dihydro-1H-isoquinolin-2-ium-2-ylidenemethanediamine; hydrogen sulfate

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-ium-2-ylidenemethanediamine; hydrogen sulfate Openeye Name: 3,4-dihydro-1H-isoquinolin-2-ium-2-ylidenemethanediamine; hydrogen sulfate CAS Name: 3,4-dihydro-1H-isoquinolin-2-ium-2-ylidenemethanediamine; hydrogen sulfate IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-ium-2-ylidenemethanediamine; hydrogen sulfate Traditional Name: [amino(3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methyl]amine bisulfate Formula: C10H15N3O4S MolecularWeight: 273.3088

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CC2=CC=CC=C21.OS(=O)(=O)[O-]

Isomeric SMILES

C1C[N+](=C(N)N)CC2=CC=CC=C21.OS(=O)(=O)[O-]

InChI

InChI=1S/C10H13N3.H2O4S/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)