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

Systemtic Name: 1-phenyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-phenyl-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-phenyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-phenyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-phenyl-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H21N4+ MolecularWeight: 341.42894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4/c23-14-20-18-8-4-5-9-19(18)21(17-6-2-1-3-7-17)26-22(20)25-15-16-10-12-24-13-11-16/h1-3,6-7,10-13H,4-5,8-9,15H2,(H,25,26)/p+1