2-[3,4-bis(phenylmethoxy)phenyl]ethyl-methyl-(6-oxidanyl-6-oxidanylidene-hexyl)-phenyl-azanium

Systemtic Name: 2-[3,4-bis(phenylmethoxy)phenyl]ethyl-methyl-(6-oxidanyl-6-oxidanylidene-hexyl)-phenyl-azanium Openeye Name: 2-(3,4-dibenzyloxyphenyl)ethyl-(6-hydroxy-6-oxo-hexyl)-methyl-phenyl-ammonium CAS Name: 2-[3,4-bis(phenylmethoxy)phenyl]ethyl-(6-hydroxy-6-oxohexyl)-methyl-phenylammonium IUPAC Name: 2-[3,4-bis(phenylmethoxy)phenyl]ethyl-(6-hydroxy-6-oxohexyl)-methyl-phenylazanium Traditional Name: 2-(3,4-dibenzoxyphenyl)ethyl-(6-hydroxy-6-keto-hexyl)-methyl-phenyl-ammonium Formula: C35H40NO4+ MolecularWeight: 538.6964

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCCCCC(=O)O)(CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[N+](CCCCCC(=O)O)(CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C35H39NO4/c1-36(32-18-10-4-11-19-32,24-13-5-12-20-35(37)38)25-23-29-21-22-33(39-27-30-14-6-2-7-15-30)34(26-29)40-28-31-16-8-3-9-17-31/h2-4,6-11,14-19,21-22,26H,5,12-13,20,23-25,27-28H2,1H3/p+1