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

Systemtic Name: carboxy-[8-chloranyl-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethyl-azanium Openeye Name: carboxy-[8-chloro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethyl-ammonium CAS Name: carboxy-[8-chloro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethylammonium IUPAC Name: carboxy-[8-chloro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethylazanium Traditional Name: carboxy-[8-chloro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethyl-ammonium Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1CN(CC2=C1C=CC=C2Cl)NC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C[N+](C)(C1CN(CC2=C1C=CC=C2Cl)NC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C17H19ClN4O2/c1-22(2,17(23)24)16-11-21(20-12-6-8-19-9-7-12)10-14-13(16)4-3-5-15(14)18/h3-9,16H,10-11H2,1-2H3,(H-,19,20,23,24)/p+1