[4-[2-[8-(2-methoxycarbonylindol-1-yl)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[8-(2-methoxycarbonylindol-1-yl)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[8-(2-methoxycarbonylindol-1-yl)octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[8-(2-methoxycarbonyl-1-indolyl)octoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[8-(2-methoxycarbonylindol-1-yl)octoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-[8-(2-carbomethoxyindol-1-yl)octoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C29H39IN2O4 MolecularWeight: 606.53543

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

InChI

InChI=1S/C29H39N2O4.HI/c1-31(2,3)25-17-15-23(16-18-25)21-28(32)35-20-12-8-6-5-7-11-19-30-26-14-10-9-13-24(26)22-27(30)29(33)34-4;/h9-10,13-18,22H,5-8,11-12,19-21H2,1-4H3;1H/q+1;/p-1