[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [(3R)-3-methylol-3-(3-phenylpropyl)piperidino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])(CCCC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@](CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H26N2O3/c24-17-21(11-4-8-18-6-2-1-3-7-18)12-5-13-22(16-21)20(25)19-9-14-23(26)15-10-19/h1-3,6-7,9-10,14-15,24H,4-5,8,11-13,16-17H2/t21-/m1/s1