3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propanoic acid

Systemtic Name: 3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propanoic acid Openeye Name: 3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propanoic acid CAS Name: 3-(4-phenyl-2,6-dipropyl-1-pyridin-1-iumyl)propanoic acid IUPAC Name: 3-(4-phenyl-2,6-dipropylpyridin-1-ium-1-yl)propanoic acid Traditional Name: 3-(4-phenyl-2,6-dipropyl-pyridin-1-ium-1-yl)propionic acid Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=[N+]1CCC(=O)O)CCC)C2=CC=CC=C2

Isomeric SMILES

CCCC1=CC(=CC(=[N+]1CCC(=O)O)CCC)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO2/c1-3-8-18-14-17(16-10-6-5-7-11-16)15-19(9-4-2)21(18)13-12-20(22)23/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3/p+1