2-[1-[[2-(4-propylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-[2-(4-propylphenyl)benzyl]oxypiperidin-1-ium-1-yl]propionic acid Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)O

InChI

InChI=1S/C24H31NO3/c1-3-9-20-12-14-21(15-13-20)23-11-6-5-10-22(23)18-28-25(19(2)24(26)27)16-7-4-8-17-25/h5-6,10-15,19H,3-4,7-9,16-18H2,1-2H3/p+1