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

Systemtic Name: [4-(diphenylmethyl)oxy-1-methyl-piperidin-1-ium-1-yl]methyl 4-methylbenzoate chloride Openeye Name: (4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)methyl 4-methylbenzoate chloride CAS Name: 4-methylbenzoic acid [4-(diphenylmethyl)oxy-1-methyl-1-piperidin-1-iumyl]methyl ester chloride IUPAC Name: (4-benzhydryloxy-1-methylpiperidin-1-ium-1-yl)methyl 4-methylbenzoate chloride Traditional Name: 4-methylbenzoic acid (4-benzhydryloxy-1-methyl-piperidin-1-ium-1-yl)methyl ester chloride Formula: C28H32ClNO3 MolecularWeight: 466.01158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC[N+]2(CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[N+]2(CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C28H32NO3.ClH/c1-22-13-15-25(16-14-22)28(30)31-21-29(2)19-17-26(18-20-29)32-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24;/h3-16,26-27H,17-21H2,1-2H3;1H/q+1;/p-1