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

Systemtic Name: [[8-chloranyl-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethyl-azaniumyl]methanoate Openeye Name: [[8-chloro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethyl-ammonio]formate CAS Name: [[8-chloro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethylammonio]formate IUPAC Name: [[8-chloro-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethylazaniumyl]formate Traditional Name: [[8-chloro-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-4-yl]-dimethyl-ammonio]formate Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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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)