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

Systemtic Name: 1-azanyl-5-morpholin-4-yl-N,N-diphenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-5-morpholino-N,N-diphenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-5-(4-morpholinyl)-N,N-diphenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-5-morpholin-4-yl-N,N-diphenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-5-morpholino-N,N-diphenyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C28H29N4O2S+ MolecularWeight: 485.62046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)N)N6CCOCC6

Isomeric SMILES

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)N)N6CCOCC6

InChI

InChI=1S/C28H28N4O2S/c29-24-23-21-13-7-8-14-22(21)26(31-15-17-34-18-16-31)30-27(23)35-25(24)28(33)32(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18,29H2/p+1