trimethyl-[4-[2-[9-(5-nitroindol-1-yl)nonoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-[9-(5-nitroindol-1-yl)nonoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[2-[9-(5-nitroindol-1-yl)nonoxy]-2-oxo-ethyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[2-[9-(5-nitro-1-indolyl)nonoxy]-2-oxoethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-[9-(5-nitroindol-1-yl)nonoxy]-2-oxoethyl]phenyl]azanium iodide Traditional Name: [4-[2-keto-2-[9-(5-nitroindol-1-yl)nonoxy]ethyl]phenyl]-trimethyl-ammonium iodide Formula: C28H38IN3O4 MolecularWeight: 607.52349

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C28H38N3O4.HI/c1-31(2,3)26-14-11-23(12-15-26)21-28(32)35-20-10-8-6-4-5-7-9-18-29-19-17-24-22-25(30(33)34)13-16-27(24)29;/h11-17,19,22H,4-10,18,20-21H2,1-3H3;1H/q+1;/p-1