trimethyl-[3-methylsulfanyl-1-oxidanylidene-1-[7-(5-phenylmethoxyindol-1-yl)heptoxy]propan-2-yl]azanium

Systemtic Name: trimethyl-[3-methylsulfanyl-1-oxidanylidene-1-[7-(5-phenylmethoxyindol-1-yl)heptoxy]propan-2-yl]azanium Openeye Name: [2-[7-(5-benzyloxyindol-1-yl)heptoxy]-1-(methylsulfanylmethyl)-2-oxo-ethyl]-trimethyl-ammonium CAS Name: trimethyl-[3-(methylthio)-1-oxo-1-[7-(5-phenylmethoxy-1-indolyl)heptoxy]propan-2-yl]ammonium IUPAC Name: trimethyl-[3-methylsulfanyl-1-oxo-1-[7-(5-phenylmethoxyindol-1-yl)heptoxy]propan-2-yl]azanium Traditional Name: [2-[7-(5-benzoxyindol-1-yl)heptoxy]-2-keto-1-[(methylthio)methyl]ethyl]-trimethyl-ammonium Formula: C29H41N2O3S+ MolecularWeight: 497.71244

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CSC)C(=O)OCCCCCCCN1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C)C(CSC)C(=O)OCCCCCCCN1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H41N2O3S/c1-31(2,3)28(23-35-4)29(32)33-20-12-7-5-6-11-18-30-19-17-25-21-26(15-16-27(25)30)34-22-24-13-9-8-10-14-24/h8-10,13-17,19,21,28H,5-7,11-12,18,20,22-23H2,1-4H3/q+1