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

Systemtic Name: 1-butyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-butyl-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-butyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-butyl-3-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-butyl-3-(4-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=NC=C3)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NCC3=CC=NC=C3)C#N

InChI

InChI=1S/C20H24N4/c1-2-3-8-19-17-7-5-4-6-16(17)18(13-21)20(24-19)23-14-15-9-11-22-12-10-15/h9-12H,2-8,14H2,1H3,(H,23,24)/p+1