[dimethyl-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]azaniumyl]methanoate

Systemtic Name: [dimethyl-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]azaniumyl]methanoate Openeye Name: [dimethyl-[2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-7-yl]ammonio]formate CAS Name: [dimethyl-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]ammonio]formate IUPAC Name: [dimethyl-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-7-yl]azaniumyl]formate Traditional Name: [dimethyl-[2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-7-yl]ammonio]formate Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC2=C(CCN(C2)NC3=CC=NC=C3)C=C1)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=CC2=C(CCN(C2)NC3=CC=NC=C3)C=C1)C(=O)[O-]

InChI

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