(8R,8aR)-6-azanyl-7,7-dicyano-2-methyl-8-(5-methylfuran-2-yl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5-carboxylate

Systemtic Name: (8R,8aR)-6-azanyl-7,7-dicyano-2-methyl-8-(5-methylfuran-2-yl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5-carboxylate Openeye Name: (8R,8aR)-6-amino-7,7-dicyano-2-methyl-8-(5-methyl-2-furyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5-carboxylate CAS Name: (8R,8aR)-6-amino-7,7-dicyano-2-methyl-8-(5-methyl-2-furanyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5-carboxylate IUPAC Name: (8R,8aR)-6-amino-7,7-dicyano-2-methyl-8-(5-methylfuran-2-yl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5-carboxylate Traditional Name: (8R,8aR)-6-amino-7,7-dicyano-2-methyl-8-(5-methyl-2-furyl)-2,3,8,8a-tetrahydro-1H-isoquinolin-2-ium-5-carboxylate Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(O1)[C@@H]2[C@H]3C[NH+](CC=C3C(=C(C2(C#N)C#N)N)C(=O)[O-])C

InChI

InChI=1S/C18H18N4O3/c1-10-3-4-13(25-10)15-12-7-22(2)6-5-11(12)14(17(23)24)16(21)18(15,8-19)9-20/h3-5,12,15H,6-7,21H2,1-2H3,(H,23,24)/t12-,15-/m0/s1