4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-amine

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-amine Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-amine CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumamine IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-amine Traditional Name: [4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]amine Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=[NH+]C=C3)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=[NH+]C=C3)N)OC

InChI

InChI=1S/C16H19N3O2/c1-20-15-7-11-4-6-19(10-12(11)8-16(15)21-2)14-3-5-18-9-13(14)17/h3,5,7-9H,4,6,10,17H2,1-2H3/p+1