[5-bromanyl-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl]-carboxy-dimethyl-azanium

Systemtic Name: [5-bromanyl-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl]-carboxy-dimethyl-azanium Openeye Name: [5-bromo-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl]-carboxy-dimethyl-ammonium CAS Name: [5-bromo-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl]-carboxy-dimethylammonium IUPAC Name: [5-bromo-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl]-carboxy-dimethylazanium Traditional Name: [5-bromo-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl]-carboxy-dimethyl-ammonium Formula: C17H20BrN4O2+ MolecularWeight: 392.2703

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C2CN(CCC2=C(C=C1)Br)NC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C[N+](C)(C1=C2CN(CCC2=C(C=C1)Br)NC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C17H19BrN4O2/c1-22(2,17(23)24)16-4-3-15(18)13-7-10-21(11-14(13)16)20-12-5-8-19-9-6-12/h3-6,8-9H,7,10-11H2,1-2H3,(H-,19,20,23,24)/p+1