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

Systemtic Name: 1-azanyl-N-(4-bromophenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-N-(4-bromophenyl)-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-N-(4-bromophenyl)-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-N-(4-bromophenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-N-(4-bromophenyl)-5-morpholino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C22H24BrN4O2S+ MolecularWeight: 488.42056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O2S/c23-13-5-7-14(8-6-13)25-21(28)19-18(24)17-15-3-1-2-4-16(15)20(26-22(17)30-19)27-9-11-29-12-10-27/h5-8H,1-4,9-12,24H2,(H,25,28)/p+1