6-azanyl-2-propyl-8-pyridin-3-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-propyl-8-pyridin-3-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-propyl-8-(3-pyridyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile CAS Name: 6-amino-2-propyl-8-(3-pyridinyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-propyl-8-pyridin-3-yl-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-propyl-8-(3-pyridyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5,7,7-tricarbonitrile Formula: C20H21N6+ MolecularWeight: 345.42094

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

CCC[NH+]1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3

InChI

InChI=1S/C20H20N6/c1-2-7-26-8-5-15-16(9-21)19(24)20(12-22,13-23)18(17(15)11-26)14-4-3-6-25-10-14/h3-6,10,17-18H,2,7-8,11,24H2,1H3/p+1