[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethyl-azanium

Systemtic Name: [(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethyl-azanium Openeye Name: [(1S)-2-[8-(4-benzyloxyphenoxy)octoxy]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethylammonium IUPAC Name: [(2S)-3-(1H-indol-3-yl)-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethylazanium Traditional Name: [(1S)-2-[8-(4-benzoxyphenoxy)octoxy]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-trimethyl-ammonium Formula: C35H45N2O4+ MolecularWeight: 557.7428

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C35H45N2O4/c1-37(2,3)34(25-29-26-36-33-18-12-11-17-32(29)33)35(38)40-24-14-7-5-4-6-13-23-39-30-19-21-31(22-20-30)41-27-28-15-9-8-10-16-28/h8-12,15-22,26,34,36H,4-7,13-14,23-25,27H2,1-3H3/q+1/t34-/m0/s1