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

Systemtic Name: (1-azanyl-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-morpholin-4-yl-methanone Openeye Name: [1-amino-5-(1-piperidyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl]-morpholino-methanone CAS Name: [1-amino-5-(1-piperidinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl]-(4-morpholinyl)methanone IUPAC Name: (1-amino-5-piperidin-1-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-4-ium-2-yl)-morpholin-4-ylmethanone Traditional Name: (1-amino-5-piperidino-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-4-ium-2-yl)-morpholino-methanone Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=[NH+]2)C(=O)N5CCOCC5)N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C4C(=C(SC4=[NH+]2)C(=O)N5CCOCC5)N

InChI

InChI=1S/C21H28N4O2S/c22-17-16-14-6-2-3-7-15(14)19(24-8-4-1-5-9-24)23-20(16)28-18(17)21(26)25-10-12-27-13-11-25/h1-13,22H2/p+1