ethyl 6-azanyl-5,5,7-tricyano-8-pyridin-1-ium-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-5,5,7-tricyano-8-pyridin-1-ium-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,5,7-tricyano-8-pyridin-1-ium-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,5,7-tricyano-8-(4-pyridin-1-iumyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,5,7-tricyano-8-pyridin-1-ium-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,5,7-tricyano-8-pyridin-1-ium-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C20H19N6O2+ MolecularWeight: 375.40386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC=[NH+]C=C3

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H18N6O2/c1-2-28-19(27)26-8-5-16-15(10-26)17(13-3-6-25-7-4-13)14(9-21)18(24)20(16,11-22)12-23/h3-7,15,17H,2,8,10,24H2,1H3/p+1