(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methanediamine

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methanediamine Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methanediamine CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methanediamine IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methanediamine Traditional Name: [amino-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium-2-ylidene)methyl]amine Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[N+](=C(N)N)CCC2=C1)OC

Isomeric SMILES

COC1=C(C=C2C[N+](=C(N)N)CCC2=C1)OC

InChI

InChI=1S/C12H17N3O2/c1-16-10-5-8-3-4-15(12(13)14)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H3,13,14)/p+1