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

Systemtic Name: trimethyl-[1-oxidanylidene-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium Openeye Name: [1-benzyl-2-[8-(4-benzyloxyphenoxy)octylamino]-2-oxo-ethyl]-trimethyl-ammonium CAS Name: trimethyl-[1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]ammonium IUPAC Name: trimethyl-[1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octylamino]propan-2-yl]azanium Traditional Name: [2-[8-(4-benzoxyphenoxy)octylamino]-1-benzyl-2-keto-ethyl]-trimethyl-ammonium Formula: C33H45N2O3+ MolecularWeight: 517.722

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)NCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)NCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C33H44N2O3/c1-35(2,3)32(26-28-16-10-8-11-17-28)33(36)34-24-14-6-4-5-7-15-25-37-30-20-22-31(23-21-30)38-27-29-18-12-9-13-19-29/h8-13,16-23,32H,4-7,14-15,24-27H2,1-3H3/p+1