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

Systemtic Name: methyl 1-azanyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate Openeye Name: methyl 1-amino-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate CAS Name: 1-amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate Traditional Name: 1-amino-5-morpholino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxylic acid methyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C3CCCCC3=C([NH+]=C2S1)N4CCOCC4)N

Isomeric SMILES

COC(=O)C1=C(C2=C3CCCCC3=C([NH+]=C2S1)N4CCOCC4)N

InChI

InChI=1S/C17H21N3O3S/c1-22-17(21)14-13(18)12-10-4-2-3-5-11(10)15(19-16(12)24-14)20-6-8-23-9-7-20/h2-9,18H2,1H3/p+1