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

Systemtic Name: 2-[1-[bis(4-methylphenyl)methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride Openeye Name: 2-[1-(bis-p-tolylmethoxy)piperidin-1-ium-1-yl]propanoate hydrochloride CAS Name: 2-[1-[bis(4-methylphenyl)methoxy]-1-piperidin-1-iumyl]propanoate hydrochloride IUPAC Name: 2-[1-[bis(4-methylphenyl)methoxy]piperidin-1-ium-1-yl]propanoate hydrochloride Traditional Name: 2-[1-(bis-p-tolylmethoxy)piperidin-1-ium-1-yl]propionate hydrochloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

Click to see the large picture

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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3.ClH/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;1H