2-[1-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride

Systemtic Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride Openeye Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride CAS Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]-1-piperidin-1-iumyl]propanoate hydrochloride IUPAC Name: 2-[1-[[2-(4-butylphenyl)phenyl]methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride Traditional Name: 2-[1-[2-(4-butylphenyl)benzyl]oxypiperidin-1-ium-1-yl]propionate hydrochloride Formula: C25H34ClNO3 MolecularWeight: 431.99536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)[O-].Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC=C2CO[N+]3(CCCCC3)C(C)C(=O)[O-].Cl

InChI

InChI=1S/C25H33NO3.ClH/c1-3-4-10-21-13-15-22(16-14-21)24-12-7-6-11-23(24)19-29-26(20(2)25(27)28)17-8-5-9-18-26;/h6-7,11-16,20H,3-5,8-10,17-19H2,1-2H3;1H