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

Systemtic Name: 1-methyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-methyl-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=NC=C3)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=NC=C3)C#N

InChI

InChI=1S/C17H18N4/c1-12-14-4-2-3-5-15(14)16(10-18)17(21-12)20-11-13-6-8-19-9-7-13/h6-9H,2-5,11H2,1H3,(H,20,21)/p+1