2-[4-[4-[4-(diphenylmethyl)oxypiperidin-1-ium-1-yl]butanoyl]phenyl]-2-methyl-propanoate

Systemtic Name: 2-[4-[4-[4-(diphenylmethyl)oxypiperidin-1-ium-1-yl]butanoyl]phenyl]-2-methyl-propanoate Openeye Name: 2-[4-[4-(4-benzhydryloxypiperidin-1-ium-1-yl)butanoyl]phenyl]-2-methyl-propanoate CAS Name: 2-[4-[4-[4-(diphenylmethyl)oxy-1-piperidin-1-iumyl]-1-oxobutyl]phenyl]-2-methylpropanoate IUPAC Name: 2-[4-[4-(4-benzhydryloxypiperidin-1-ium-1-yl)butanoyl]phenyl]-2-methylpropanoate Traditional Name: 2-[4-[4-(4-benzhydryloxypiperidin-1-ium-1-yl)butanoyl]phenyl]-2-methyl-propionate Formula: C32H37NO4 MolecularWeight: 499.64048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)CCC[NH+]2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)CCC[NH+]2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)