methyl 2-azanyl-3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate

Systemtic Name: methyl 2-azanyl-3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate Openeye Name: methyl 2-amino-3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate CAS Name: 2-amino-3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylate Traditional Name: 2-amino-3-cyano-5,6,7,8-tetrahydroquinolin-1-ium-4-carboxylic acid methyl ester Formula: C12H14N3O2+ MolecularWeight: 232.25846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=[NH+]C2=C1CCCC2)N)C#N

Isomeric SMILES

COC(=O)C1=C(C(=[NH+]C2=C1CCCC2)N)C#N

InChI

InChI=1S/C12H13N3O2/c1-17-12(16)10-7-4-2-3-5-9(7)15-11(14)8(10)6-13/h2-5H2,1H3,(H2,14,15)/p+1