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

Systemtic Name: 1-(2-methylpropyl)-3-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-isobutyl-3-(3-pyridylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-methylpropyl)-3-(3-pyridinylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(2-methylpropyl)-3-(pyridin-3-ylmethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-isobutyl-3-(3-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4/c1-14(2)10-19-17-8-4-3-7-16(17)18(11-21)20(24-19)23-13-15-6-5-9-22-12-15/h5-6,9,12,14H,3-4,7-8,10,13H2,1-2H3,(H,23,24)/p+1