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

Systemtic Name: 1-azanyl-5-morpholin-4-yl-N-(2-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-5-morpholino-N-(2-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-5-(4-morpholinyl)-N-(2-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-5-morpholin-4-yl-N-(2-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-5-morpholino-N-(2-nitrophenyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C22H24N5O4S+ MolecularWeight: 454.52206

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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+](=O)[O-])N)N5CCOCC5

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c23-18-17-13-5-1-2-6-14(13)20(26-9-11-31-12-10-26)25-22(17)32-19(18)21(28)24-15-7-3-4-8-16(15)27(29)30/h3-4,7-8H,1-2,5-6,9-12,23H2,(H,24,28)/p+1