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

Systemtic Name: 2-[1-[bis(4-methylphenyl)methoxy]piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(bis-p-tolylmethoxy)piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[bis(4-methylphenyl)methoxy]-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-[bis(4-methylphenyl)methoxy]piperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(bis-p-tolylmethoxy)piperidin-1-ium-1-yl]propionic acid Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O[N+]3(CCCCC3)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O[N+]3(CCCCC3)C(C)C(=O)O

InChI

InChI=1S/C23H29NO3/c1-17-7-11-20(12-8-17)22(21-13-9-18(2)10-14-21)27-24(19(3)23(25)26)15-5-4-6-16-24/h7-14,19,22H,4-6,15-16H2,1-3H3/p+1