2-[1-[bis(4-methylphenyl)methoxy]piperidin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-[1-[bis(4-methylphenyl)methoxy]piperidin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[1-(bis-p-tolylmethoxy)piperidin-1-ium-1-yl]hexanoic acid CAS Name: 2-[1-[bis(4-methylphenyl)methoxy]-1-piperidin-1-iumyl]hexanoic acid IUPAC Name: 2-[1-[bis(4-methylphenyl)methoxy]piperidin-1-ium-1-yl]hexanoic acid Traditional Name: 2-[1-(bis-p-tolylmethoxy)piperidin-1-ium-1-yl]hexanoic acid Formula: C26H36NO3+ MolecularWeight: 410.56894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCCCC1)OC(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCCCC1)OC(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H35NO3/c1-4-5-9-24(26(28)29)27(18-7-6-8-19-27)30-25(22-14-10-20(2)11-15-22)23-16-12-21(3)13-17-23/h10-17,24-25H,4-9,18-19H2,1-3H3/p+1