ethyl 5-azanyl-4-cyano-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H23N3O4S/c1-4-27-20(24)18-15(14(9-21)19(22)28-18)11-23-6-5-12-7-16(25-2)17(26-3)8-13(12)10-23/h7-8H,4-6,10-11,22H2,1-3H3/p+1