1-oxidanidyl-1-phenethyl-2-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-1-ium-3-ol

Systemtic Name: 1-oxidanidyl-1-phenethyl-2-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-1-ium-3-ol Openeye Name: 1-oxido-1-phenethyl-2-[(E)-3-(3-pyridyl)allyl]piperidin-1-ium-3-ol CAS Name: 1-oxido-1-phenethyl-2-[(E)-3-(3-pyridinyl)prop-2-enyl]-3-piperidin-1-iumol IUPAC Name: 1-oxido-1-phenethyl-2-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-1-ium-3-ol Traditional Name: 1-oxido-1-phenethyl-2-[(E)-3-(3-pyridyl)allyl]piperidin-1-ium-3-ol Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C([N+](C1)(CCC2=CC=CC=C2)[O-])CC=CC3=CN=CC=C3)O

Isomeric SMILES

C1CC(C([N+](C1)(CCC2=CC=CC=C2)[O-])C/C=C/C3=CN=CC=C3)O

InChI

InChI=1S/C21H26N2O2/c24-21-12-6-15-23(25,16-13-18-7-2-1-3-8-18)20(21)11-4-9-19-10-5-14-22-17-19/h1-5,7-10,14,17,20-21,24H,6,11-13,15-16H2/b9-4+