2-[4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]hexanoate hydrochloride

Systemtic Name: 2-[4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]hexanoate hydrochloride Openeye Name: 2-(4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)hexanoate hydrochloride CAS Name: 2-[4-(diphenylmethyl)oxy-1-methyl-1-piperidin-1-iumyl]hexanoate hydrochloride IUPAC Name: 2-(4-benzhydryloxy-1-methylpiperidin-1-ium-1-yl)hexanoate hydrochloride Traditional Name: 2-(4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)hexanoate hydrochloride Formula: C25H34ClNO3 MolecularWeight: 431.99536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3.ClH/c1-3-4-15-23(25(27)28)26(2)18-16-22(17-19-26)29-24(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-14,22-24H,3-4,15-19H2,1-2H3;1H