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

Systemtic Name: ethyl 1-azanyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-2-24-18(22)15-14(19)13-11-5-3-4-6-12(11)16(20-17(13)25-15)21-7-9-23-10-8-21/h2-10,19H2,1H3/p+1