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

Systemtic Name: trimethyl-[4-[2-[5-(5-nitroindol-1-yl)pentoxy]-2-oxidanylidene-ethyl]phenyl]azanium iodide Openeye Name: trimethyl-[4-[2-[5-(5-nitroindol-1-yl)pentoxy]-2-oxo-ethyl]phenyl]ammonium iodide CAS Name: trimethyl-[4-[2-[5-(5-nitro-1-indolyl)pentoxy]-2-oxoethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-[5-(5-nitroindol-1-yl)pentoxy]-2-oxoethyl]phenyl]azanium iodide Traditional Name: [4-[2-keto-2-[5-(5-nitroindol-1-yl)pentoxy]ethyl]phenyl]-trimethyl-ammonium iodide Formula: C24H30IN3O4 MolecularWeight: 551.41717

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C24H30N3O4.HI/c1-27(2,3)22-10-7-19(8-11-22)17-24(28)31-16-6-4-5-14-25-15-13-20-18-21(26(29)30)9-12-23(20)25;/h7-13,15,18H,4-6,14,16-17H2,1-3H3;1H/q+1;/p-1