5-morpholin-4-yl-2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-1-amine

Systemtic Name: 5-morpholin-4-yl-2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-1-amine Openeye Name: 5-morpholino-2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-1-amine CAS Name: 5-(4-morpholinyl)-2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-1-amine IUPAC Name: 5-morpholin-4-yl-2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-1-amine Traditional Name: [5-morpholino-2-(4-nitrophenyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-1-yl]amine Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c22-18-17-15-3-1-2-4-16(15)20(24-9-11-28-12-10-24)23-21(17)29-19(18)13-5-7-14(8-6-13)25(26)27/h5-8H,1-4,9-12,22H2/p+1