(2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-yl)-[(3S)-3-oxidanylpiperidin-1-yl]methanone

Systemtic Name: (2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-yl)-[(3S)-3-oxidanylpiperidin-1-yl]methanone Openeye Name: [(3S)-3-hydroxy-1-piperidyl]-(2-morpholino-6-phenyl-pyridin-1-ium-3-yl)methanone CAS Name: [(3S)-3-hydroxy-1-piperidinyl]-[2-(4-morpholinyl)-6-phenyl-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-hydroxypiperidin-1-yl]-(2-morpholin-4-yl-6-phenylpyridin-1-ium-3-yl)methanone Traditional Name: [(3S)-3-hydroxypiperidino]-(2-morpholino-6-phenyl-pyridin-1-ium-3-yl)methanone Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCOCC4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCOCC4)O

InChI

InChI=1S/C21H25N3O3/c25-17-7-4-10-24(15-17)21(26)18-8-9-19(16-5-2-1-3-6-16)22-20(18)23-11-13-27-14-12-23/h1-3,5-6,8-9,17,25H,4,7,10-15H2/p+1/t17-/m0/s1