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

Systemtic Name: 1-azanyl-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-5-morpholino-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-5-(4-morpholinyl)-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-5-morpholin-4-yl-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-5-morpholino-N-phenyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4)N)N5CCOCC5

Isomeric SMILES

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4)N)N5CCOCC5

InChI

InChI=1S/C22H24N4O2S/c23-18-17-15-8-4-5-9-16(15)20(26-10-12-28-13-11-26)25-22(17)29-19(18)21(27)24-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,23H2,(H,24,27)/p+1