[4-[2-[8-(2-methoxycarbonyl-5-phenylmethoxy-indol-1-yl)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[8-(2-methoxycarbonyl-5-phenylmethoxy-indol-1-yl)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[8-(5-benzyloxy-2-methoxycarbonyl-indol-1-yl)octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[8-(2-methoxycarbonyl-5-phenylmethoxy-1-indolyl)octoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[8-(2-methoxycarbonyl-5-phenylmethoxyindol-1-yl)octoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-[8-(5-benzoxy-2-carbomethoxy-indol-1-yl)octoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C36H45IN2O5 MolecularWeight: 712.65737

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)OC.[I-]

InChI

InChI=1S/C36H45N2O5.HI/c1-38(2,3)31-18-16-28(17-19-31)24-35(39)42-23-13-8-6-5-7-12-22-37-33-21-20-32(43-27-29-14-10-9-11-15-29)25-30(33)26-34(37)36(40)41-4;/h9-11,14-21,25-26H,5-8,12-13,22-24,27H2,1-4H3;1H/q+1;/p-1