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

Systemtic Name: (1-azanyl-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone Openeye Name: (1-amino-5-morpholino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone CAS Name: [1-amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl]-phenylmethanone IUPAC Name: (1-amino-5-morpholin-4-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-phenylmethanone Traditional Name: (1-amino-5-morpholino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-yl)-phenyl-methanone Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c23-18-17-15-8-4-5-9-16(15)21(25-10-12-27-13-11-25)24-22(17)28-20(18)19(26)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,23H2/p+1