[4-[2-[7-(5-methoxyindol-1-yl)heptoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[7-(5-methoxyindol-1-yl)heptoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[7-(5-methoxyindol-1-yl)heptoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[7-(5-methoxy-1-indolyl)heptoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[7-(5-methoxyindol-1-yl)heptoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-keto-2-[7-(5-methoxyindol-1-yl)heptoxy]ethyl]phenyl]-trimethyl-ammonium iodide Formula: C27H37IN2O3 MolecularWeight: 564.49875

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCN2C=CC3=C2C=CC(=C3)OC.[I-]

InChI

InChI=1S/C27H37N2O3.HI/c1-29(2,3)24-12-10-22(11-13-24)20-27(30)32-19-9-7-5-6-8-17-28-18-16-23-21-25(31-4)14-15-26(23)28;/h10-16,18,21H,5-9,17,19-20H2,1-4H3;1H/q+1;/p-1