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

Systemtic Name: [dimethyl-[1-(pyridin-4-ylamino)-1,2,3,4-tetrahydroisoquinolin-8-yl]azaniumyl]methanoate Openeye Name: [dimethyl-[1-(4-pyridylamino)-1,2,3,4-tetrahydroisoquinolin-8-yl]ammonio]formate CAS Name: [dimethyl-[1-(pyridin-4-ylamino)-1,2,3,4-tetrahydroisoquinolin-8-yl]ammonio]formate IUPAC Name: [dimethyl-[1-(pyridin-4-ylamino)-1,2,3,4-tetrahydroisoquinolin-8-yl]azaniumyl]formate Traditional Name: [dimethyl-[1-(4-pyridylamino)-1,2,3,4-tetrahydroisoquinolin-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=C1C(NCC2)NC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=CC=CC2=C1C(NCC2)NC3=CC=NC=C3)C(=O)[O-]

InChI

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