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

Systemtic Name: 1-ethyl-3-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-ethyl-3-(3-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-ethyl-3-(3-pyridinylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-ethyl-3-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-ethyl-3-(3-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H21N4+ MolecularWeight: 293.38614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CN=CC=C3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CN=CC=C3)C#N

InChI

InChI=1S/C18H20N4/c1-2-17-15-8-4-3-7-14(15)16(10-19)18(22-17)21-12-13-6-5-9-20-11-13/h5-6,9,11H,2-4,7-8,12H2,1H3,(H,21,22)/p+1