2-[4-[bis(4-methylphenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]propanoate hydrochloride

Systemtic Name: 2-[4-[bis(4-methylphenyl)methoxy]-1-ethyl-piperidin-1-ium-1-yl]propanoate hydrochloride Openeye Name: 2-[4-(bis-p-tolylmethoxy)-1-ethyl-piperidin-1-ium-1-yl]propanoate hydrochloride CAS Name: 2-[4-[bis(4-methylphenyl)methoxy]-1-ethyl-1-piperidin-1-iumyl]propanoate hydrochloride IUPAC Name: 2-[4-[bis(4-methylphenyl)methoxy]-1-ethylpiperidin-1-ium-1-yl]propanoate hydrochloride Traditional Name: 2-[4-(bis-p-tolylmethoxy)-1-ethyl-piperidin-1-ium-1-yl]propionate hydrochloride Formula: C25H34ClNO3 MolecularWeight: 431.99536

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)OC(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C(C)C(=O)[O-].Cl

Isomeric SMILES

CC[N+]1(CCC(CC1)OC(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C(C)C(=O)[O-].Cl

InChI

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