trimethyl-[1-[methyl-[8-(4-phenylmethoxyphenoxy)octyl]amino]-3-phenyl-propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[1-[methyl-[8-(4-phenylmethoxyphenoxy)octyl]amino]-3-phenyl-propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-[8-(4-benzyloxyphenoxy)octyl-methyl-amino]ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[1-[methyl-[8-(4-phenylmethoxyphenoxy)octyl]amino]-3-phenylpropan-2-yl]ammonium iodide IUPAC Name: trimethyl-[1-[methyl-[8-(4-phenylmethoxyphenoxy)octyl]amino]-3-phenylpropan-2-yl]azanium iodide Traditional Name: [1-[[8-(4-benzoxyphenoxy)octyl-methyl-amino]methyl]-2-phenyl-ethyl]-trimethyl-ammonium iodide Formula: C34H49IN2O2 MolecularWeight: 644.66953

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2)CC(CC3=CC=CC=C3)[N+](C)(C)C.[I-]

Isomeric SMILES

CN(CCCCCCCCOC1=CC=C(C=C1)OCC2=CC=CC=C2)CC(CC3=CC=CC=C3)[N+](C)(C)C.[I-]

InChI

InChI=1S/C34H49N2O2.HI/c1-35(28-32(36(2,3)4)27-30-17-11-9-12-18-30)25-15-7-5-6-8-16-26-37-33-21-23-34(24-22-33)38-29-31-19-13-10-14-20-31;/h9-14,17-24,32H,5-8,15-16,25-29H2,1-4H3;1H/q+1;/p-1