trimethyl-[3-naphthalen-1-yl-1-oxidanylidene-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide

Systemtic Name: trimethyl-[3-naphthalen-1-yl-1-oxidanylidene-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide Openeye Name: [2-[8-(4-benzyloxyphenoxy)octylamino]-1-(1-naphthylmethyl)-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[3-(1-naphthalenyl)-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]ammonium iodide IUPAC Name: trimethyl-[3-naphthalen-1-yl-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium iodide Traditional Name: [2-[8-(4-benzoxyphenoxy)octylamino]-2-keto-1-(1-naphthylmethyl)ethyl]-trimethyl-ammonium iodide Formula: C37H47IN2O3 MolecularWeight: 694.68515

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC2=CC=CC=C21)C(=O)NCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC2=CC=CC=C21)C(=O)NCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C37H46N2O3.HI/c1-39(2,3)36(28-32-20-15-19-31-18-11-12-21-35(31)32)37(40)38-26-13-6-4-5-7-14-27-41-33-22-24-34(25-23-33)42-29-30-16-9-8-10-17-30;/h8-12,15-25,36H,4-7,13-14,26-29H2,1-3H3;1H