2-[4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-[4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]hexanoic acid Openeye Name: 2-(4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)hexanoic acid CAS Name: 2-[4-(diphenylmethyl)oxy-1-methyl-1-piperidin-1-iumyl]hexanoic acid IUPAC Name: 2-(4-benzhydryloxy-1-methylpiperidin-1-ium-1-yl)hexanoic acid Traditional Name: 2-(4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)hexanoic acid Formula: C25H34NO3+ MolecularWeight: 396.54236

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3/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/p+1