trimethyl-[4-[8-(5-nitroindol-1-yl)octoxycarbonyl]phenyl]azanium

Systemtic Name: trimethyl-[4-[8-(5-nitroindol-1-yl)octoxycarbonyl]phenyl]azanium Openeye Name: trimethyl-[4-[8-(5-nitroindol-1-yl)octoxycarbonyl]phenyl]ammonium CAS Name: trimethyl-[4-[8-(5-nitro-1-indolyl)octoxy-oxomethyl]phenyl]ammonium IUPAC Name: trimethyl-[4-[8-(5-nitroindol-1-yl)octoxycarbonyl]phenyl]azanium Traditional Name: trimethyl-[4-[8-(5-nitroindol-1-yl)octoxycarbonyl]phenyl]ammonium Formula: C26H34N3O4+ MolecularWeight: 452.56586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)C(=O)OCCCCCCCCN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H34N3O4/c1-29(2,3)24-13-10-21(11-14-24)26(30)33-19-9-7-5-4-6-8-17-27-18-16-22-20-23(28(31)32)12-15-25(22)27/h10-16,18,20H,4-9,17,19H2,1-3H3/q+1