(3S)-1-[(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[2-hydroxy-5-(3-pyridyl)phenyl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[2-hydroxy-5-(3-pyridinyl)phenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-hydroxy-5-(3-pyridyl)benzyl]piperidin-1-ium-3-carboxamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)C3=CN=CC=C3)O)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)C3=CN=CC=C3)O)C(=O)N

InChI

InChI=1S/C18H21N3O2/c19-18(23)15-4-2-8-21(11-15)12-16-9-13(5-6-17(16)22)14-3-1-7-20-10-14/h1,3,5-7,9-10,15,22H,2,4,8,11-12H2,(H2,19,23)/p+1/t15-/m0/s1