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

Systemtic Name: 1-azanyl-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Openeye Name: 1-amino-5-morpholino-N-(2-pyridyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide CAS Name: 1-amino-5-(4-morpholinyl)-N-(2-pyridinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide IUPAC Name: 1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-carboxamide Traditional Name: 1-amino-5-morpholino-N-(2-pyridyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-carboxamide Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)NC4=CC=CC=N4)N)N5CCOCC5

Isomeric SMILES

C1CCC2=C([NH+]=C3C(=C2C1)C(=C(S3)C(=O)NC4=CC=CC=N4)N)N5CCOCC5

InChI

InChI=1S/C21H23N5O2S/c22-17-16-13-5-1-2-6-14(13)19(26-9-11-28-12-10-26)25-21(16)29-18(17)20(27)24-15-7-3-4-8-23-15/h3-4,7-8H,1-2,5-6,9-12,22H2,(H,23,24,27)/p+1