4-(8-azanyl-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-4-yl)benzene-1,2-diol

Systemtic Name: 4-(8-azanyl-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-4-yl)benzene-1,2-diol Openeye Name: 4-(8-amino-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-4-yl)benzene-1,2-diol CAS Name: 4-(8-amino-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-4-yl)benzene-1,2-diol IUPAC Name: 4-(8-amino-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-4-yl)benzene-1,2-diol Traditional Name: 4-(8-amino-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-4-yl)pyrocatechol Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C2=C(C1)C(=CC=C2)N)C3=CC(=C(C=C3)O)O)C

Isomeric SMILES

C[N+]1(CC(C2=C(C1)C(=CC=C2)N)C3=CC(=C(C=C3)O)O)C

InChI

InChI=1S/C17H20N2O2/c1-19(2)9-13(11-6-7-16(20)17(21)8-11)12-4-3-5-15(18)14(12)10-19/h3-8,13H,9-10,18H2,1-2H3,(H-,20,21)/p+1