1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H19N4O+ MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC3=CC=NC=C3)C4=CC=CO4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC3=CC=NC=C3)C4=CC=CO4

InChI

InChI=1S/C20H18N4O/c21-12-17-15-4-1-2-5-16(15)19(18-6-3-11-25-18)24-20(17)23-13-14-7-9-22-10-8-14/h3,6-11H,1-2,4-5,13H2,(H,23,24)/p+1