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

Systemtic Name: trimethyl-[4-[2-[7-(5-nitroindol-1-yl)heptoxy]-2-oxidanylidene-ethyl]phenyl]azanium Openeye Name: trimethyl-[4-[2-[7-(5-nitroindol-1-yl)heptoxy]-2-oxo-ethyl]phenyl]ammonium CAS Name: trimethyl-[4-[2-[7-(5-nitro-1-indolyl)heptoxy]-2-oxoethyl]phenyl]ammonium IUPAC Name: trimethyl-[4-[2-[7-(5-nitroindol-1-yl)heptoxy]-2-oxoethyl]phenyl]azanium Traditional Name: [4-[2-keto-2-[7-(5-nitroindol-1-yl)heptoxy]ethyl]phenyl]-trimethyl-ammonium Formula: C26H34N3O4+ MolecularWeight: 452.56586

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H34N3O4/c1-29(2,3)24-12-9-21(10-13-24)19-26(30)33-18-8-6-4-5-7-16-27-17-15-22-20-23(28(31)32)11-14-25(22)27/h9-15,17,20H,4-8,16,18-19H2,1-3H3/q+1