methyl 1-azanyl-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate

Systemtic Name: methyl 1-azanyl-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate Openeye Name: methyl 1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate CAS Name: 1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate Traditional Name: 1-amino-5-ethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxylic acid methyl ester Formula: C15H19N2O2S+ MolecularWeight: 291.38856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C3C(=C(SC3=[NH+]1)C(=O)OC)N

Isomeric SMILES

CCC1=C2CCCCC2=C3C(=C(SC3=[NH+]1)C(=O)OC)N

InChI

InChI=1S/C15H18N2O2S/c1-3-10-8-6-4-5-7-9(8)11-12(16)13(15(18)19-2)20-14(11)17-10/h3-7,16H2,1-2H3/p+1