triethyl-[[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]methyl]azanium iodide

Systemtic Name: triethyl-[[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]methyl]azanium iodide Openeye Name: triethyl-[[1-(4-phenoxyphenoxy)carbonyl-4-piperidyl]methyl]ammonium iodide CAS Name: triethyl-[[1-[oxo-(4-phenoxyphenoxy)methyl]-4-piperidinyl]methyl]ammonium iodide IUPAC Name: triethyl-[[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]methyl]azanium iodide Traditional Name: triethyl-[[1-(4-phenoxyphenoxy)carbonyl-4-piperidyl]methyl]ammonium iodide Formula: C25H35IN2O3 MolecularWeight: 538.46147

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1CCN(CC1)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+](CC)(CC)CC1CCN(CC1)C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3.[I-]

InChI

InChI=1S/C25H35N2O3.HI/c1-4-27(5-2,6-3)20-21-16-18-26(19-17-21)25(28)30-24-14-12-23(13-15-24)29-22-10-8-7-9-11-22;/h7-15,21H,4-6,16-20H2,1-3H3;1H/q+1;/p-1