1-[(2-pyridin-4-ylphenyl)methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(2-pyridin-4-ylphenyl)methyl]piperidin-1-ium-4-one Openeye Name: 1-[[2-(4-pyridyl)phenyl]methyl]piperidin-1-ium-4-one CAS Name: 1-[(2-pyridin-4-ylphenyl)methyl]-4-piperidin-1-iumone IUPAC Name: 1-[(2-pyridin-4-ylphenyl)methyl]piperidin-1-ium-4-one Traditional Name: 1-[2-(4-pyridyl)benzyl]piperidin-1-ium-4-one Formula: C17H19N2O+ MolecularWeight: 267.34556

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=CC=NC=C3

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=CC=NC=C3

InChI

InChI=1S/C17H18N2O/c20-16-7-11-19(12-8-16)13-15-3-1-2-4-17(15)14-5-9-18-10-6-14/h1-6,9-10H,7-8,11-13H2/p+1