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

Systemtic Name: [dimethyl-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl]azaniumyl]methanoate Openeye Name: [dimethyl-[2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl]ammonio]formate CAS Name: [dimethyl-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl]ammonio]formate IUPAC Name: [dimethyl-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl]azaniumyl]formate Traditional Name: [dimethyl-[2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl]ammonio]formate Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=CC2=C1CN(CC2)NC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=CC=CC2=C1CN(CC2)NC3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C17H20N4O2/c1-21(2,17(22)23)16-5-3-4-13-8-11-20(12-15(13)16)19-14-6-9-18-10-7-14/h3-7,9-10H,8,11-12H2,1-2H3,(H-,18,19,22,23)