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

Systemtic Name: 1-azanyl-N-(2-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-(o-tolyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-N-(2-methylphenyl)-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-N-(2-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-(o-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=C1NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=C4CCCCC4=C([NH+]=C3S2)N5CCOCC5)N

InChI

InChI=1S/C23H26N4O2S/c1-14-6-2-5-9-17(14)25-22(28)20-19(24)18-15-7-3-4-8-16(15)21(26-23(18)30-20)27-10-12-29-13-11-27/h2,5-6,9H,3-4,7-8,10-13,24H2,1H3,(H,25,28)/p+1