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

Systemtic Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid CAS Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]hexanoic acid IUPAC Name: 2-[1-[[2-(4-propylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]hexanoic acid Traditional Name: 2-[1-[2-(4-propylphenyl)benzyl]oxypiperidin-1-ium-1-yl]hexanoic acid Formula: C27H38NO3+ MolecularWeight: 424.59552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCCCC1)OCC2=CC=CC=C2C3=CC=C(C=C3)CCC

InChI

InChI=1S/C27H37NO3/c1-3-5-14-26(27(29)30)28(19-9-6-10-20-28)31-21-24-12-7-8-13-25(24)23-17-15-22(11-4-2)16-18-23/h7-8,12-13,15-18,26H,3-6,9-11,14,19-21H2,1-2H3/p+1