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

Systemtic Name: 5-(1-azanyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-N-methyl-furan-2-carboxamide Openeye Name: 5-(1-amino-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-N-methyl-furan-2-carboxamide CAS Name: 5-[1-amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl]-N-methyl-2-furancarboxamide IUPAC Name: 5-(1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-N-methylfuran-2-carboxamide Traditional Name: 5-(1-amino-5-morpholino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-yl)-N-methyl-2-furamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(O1)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

Isomeric SMILES

CNC(=O)C1=CC=C(O1)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

InChI

InChI=1S/C21H24N4O3S/c1-23-20(26)15-7-6-14(28-15)18-17(22)16-12-4-2-3-5-13(12)19(24-21(16)29-18)25-8-10-27-11-9-25/h6-7H,2-5,8-11,22H2,1H3,(H,23,26)/p+1