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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)NCC4=CC=CO4)N)N5CCOCC5

Isomeric SMILES

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)NCC4=CC=CO4)N)N5CCOCC5

InChI

InChI=1S/C21H24N4O3S/c22-17-16-14-5-1-2-6-15(14)19(25-7-10-27-11-8-25)24-21(16)29-18(17)20(26)23-12-13-4-3-9-28-13/h3-4,9H,1-2,5-8,10-12,22H2,(H,23,26)/p+1