[4-[2-[7-(2-methoxycarbonylindol-1-yl)heptoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[7-(2-methoxycarbonylindol-1-yl)heptoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[7-(2-methoxycarbonylindol-1-yl)heptoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[7-(2-methoxycarbonyl-1-indolyl)heptoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[7-(2-methoxycarbonylindol-1-yl)heptoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-[7-(2-carbomethoxyindol-1-yl)heptoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C28H37IN2O4 MolecularWeight: 592.50885

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCN2C3=CC=CC=C3C=C2C(=O)OC.[I-]

InChI

InChI=1S/C28H37N2O4.HI/c1-30(2,3)24-16-14-22(15-17-24)20-27(31)34-19-11-7-5-6-10-18-29-25-13-9-8-12-23(25)21-26(29)28(32)33-4;/h8-9,12-17,21H,5-7,10-11,18-20H2,1-4H3;1H/q+1;/p-1