[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-morpholinopyridin-1-ium-2-yl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(4-morpholinyl)-2-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-morpholinopyridin-1-ium-2-yl)methanone Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=[NH+]C=CC(=C2)N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N4O2S/c27-22(19-14-17(7-8-23-19)25-10-12-28-13-11-25)26-9-3-4-16(15-26)21-24-18-5-1-2-6-20(18)29-21/h1-2,5-8,14,16H,3-4,9-13,15H2/p+1/t16-/m0/s1