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

Systemtic Name: 1-azanyl-N-(3-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-5-morpholino-N-(m-tolyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-N-(3-methylphenyl)-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-N-(3-methylphenyl)-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-5-morpholino-N-(m-tolyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

InChI

InChI=1S/C23H26N4O2S/c1-14-5-4-6-15(13-14)25-22(28)20-19(24)18-16-7-2-3-8-17(16)21(26-23(18)30-20)27-9-11-29-12-10-27/h4-6,13H,2-3,7-12,24H2,1H3,(H,25,28)/p+1