methyl-(2-nitrophenyl)carbonyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-pentyl-azanium

Systemtic Name: methyl-(2-nitrophenyl)carbonyl-[2-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]-pentyl-azanium Openeye Name: [2-(4-hydroxy-4-oxo-butyl)phenyl]-methyl-(2-nitrobenzoyl)-pentyl-ammonium CAS Name: [2-(4-hydroxy-4-oxobutyl)phenyl]-methyl-[(2-nitrophenyl)-oxomethyl]-pentylammonium IUPAC Name: [2-(4-hydroxy-4-oxobutyl)phenyl]-methyl-(2-nitrobenzoyl)-pentylazanium Traditional Name: amyl-[2-(4-hydroxy-4-keto-butyl)phenyl]-methyl-(2-nitrobenzoyl)ammonium Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(C1=CC=CC=C1CCCC(=O)O)C(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC[N+](C)(C1=CC=CC=C1CCCC(=O)O)C(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O5/c1-3-4-9-17-25(2,23(28)19-13-6-7-14-20(19)24(29)30)21-15-8-5-11-18(21)12-10-16-22(26)27/h5-8,11,13-15H,3-4,9-10,12,16-17H2,1-2H3/p+1