[4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]methyl octanoate chloride

Systemtic Name: [4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]methyl octanoate chloride Openeye Name: (4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)methyl octanoate chloride CAS Name: octanoic acid [4-(diphenylmethyl)oxy-1-methyl-1-piperidin-1-iumyl]methyl ester chloride IUPAC Name: (4-benzhydryloxy-1-methylpiperidin-1-ium-1-yl)methyl octanoate chloride Traditional Name: caprylic acid (4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)methyl ester chloride Formula: C28H40ClNO3 MolecularWeight: 474.0751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40NO3.ClH/c1-3-4-5-6-13-18-27(30)31-23-29(2)21-19-26(20-22-29)32-28(24-14-9-7-10-15-24)25-16-11-8-12-17-25;/h7-12,14-17,26,28H,3-6,13,18-23H2,1-2H3;1H/q+1;/p-1