1-azanyl-N-(4-ethanoylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide

Systemtic Name: 1-azanyl-N-(4-ethanoylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: N-(4-acetylphenyl)-1-amino-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: N-(4-acetylphenyl)-1-amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: N-(4-acetylphenyl)-1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: N-(4-acetylphenyl)-1-amino-5-morpholino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

InChI

InChI=1S/C24H26N4O3S/c1-14(29)15-6-8-16(9-7-15)26-23(30)21-20(25)19-17-4-2-3-5-18(17)22(27-24(19)32-21)28-10-12-31-13-11-28/h6-9H,2-5,10-13,25H2,1H3,(H,26,30)/p+1