2-[4-(diphenylmethyl)oxy-1-ethyl-piperidin-1-ium-1-yl]pentanoate hydrochloride

Systemtic Name: 2-[4-(diphenylmethyl)oxy-1-ethyl-piperidin-1-ium-1-yl]pentanoate hydrochloride Openeye Name: 2-(4-benzhydryloxy-1-ethyl-piperidin-1-ium-1-yl)pentanoate hydrochloride CAS Name: 2-[4-(diphenylmethyl)oxy-1-ethyl-1-piperidin-1-iumyl]pentanoate hydrochloride IUPAC Name: 2-(4-benzhydryloxy-1-ethylpiperidin-1-ium-1-yl)pentanoate hydrochloride Traditional Name: 2-(4-benzhydryloxy-1-ethyl-piperidin-1-ium-1-yl)valerate hydrochloride Formula: C25H34ClNO3 MolecularWeight: 431.99536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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