[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl] N-(diphenylmethyl)carbamate iodide

Systemtic Name: [1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl] N-(diphenylmethyl)carbamate iodide Openeye Name: (1-benzyl-1-methyl-piperidin-1-ium-4-yl) N-benzhydrylcarbamate iodide CAS Name: N-(diphenylmethyl)carbamic acid [1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl] ester iodide IUPAC Name: (1-benzyl-1-methylpiperidin-1-ium-4-yl) N-benzhydrylcarbamate iodide Traditional Name: N-benzhydrylcarbamic acid (1-benzyl-1-methyl-piperidin-1-ium-4-yl) ester iodide Formula: C27H31IN2O2 MolecularWeight: 542.45171

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H30N2O2.HI/c1-29(21-22-11-5-2-6-12-22)19-17-25(18-20-29)31-27(30)28-26(23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-16,25-26H,17-21H2,1H3;1H