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

Systemtic Name: [1-[8-(3-chloranyl-4-phenylmethoxy-phenoxy)octylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]-trimethyl-azanium Openeye Name: [1-benzyl-2-[8-(4-benzyloxy-3-chloro-phenoxy)octylamino]-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [1-[8-(3-chloro-4-phenylmethoxyphenoxy)octylamino]-1-oxo-3-phenylpropan-2-yl]-trimethylammonium IUPAC Name: [1-[8-(3-chloro-4-phenylmethoxyphenoxy)octylamino]-1-oxo-3-phenylpropan-2-yl]-trimethylazanium Traditional Name: [2-[8-(4-benzoxy-3-chloro-phenoxy)octylamino]-1-benzyl-2-keto-ethyl]-trimethyl-ammonium Formula: C33H44ClN2O3+ MolecularWeight: 552.16706

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C33H43ClN2O3/c1-36(2,3)31(24-27-16-10-8-11-17-27)33(37)35-22-14-6-4-5-7-15-23-38-29-20-21-32(30(34)25-29)39-26-28-18-12-9-13-19-28/h8-13,16-21,25,31H,4-7,14-15,22-24,26H2,1-3H3/p+1