(3S)-1-(1,3-benzothiazol-2-yl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[(2-morpholinopyridin-1-ium-3-yl)methyl]nipecotamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCC4=C([NH+]=CC=C4)N5CCOCC5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCC4=C([NH+]=CC=C4)N5CCOCC5

InChI

InChI=1S/C23H27N5O2S/c29-22(25-15-17-5-3-9-24-21(17)27-11-13-30-14-12-27)18-6-4-10-28(16-18)23-26-19-7-1-2-8-20(19)31-23/h1-3,5,7-9,18H,4,6,10-16H2,(H,25,29)/p+1/t18-/m0/s1