cyclohexyl-hexyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-pentanoyl-azanium

Systemtic Name: cyclohexyl-hexyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-pentanoyl-azanium Openeye Name: cyclohexyl-hexyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-pentanoyl-ammonium CAS Name: cyclohexyl-hexyl-[3-(1-hydroxyethyl)-4-nitrophenoxy]-(1-oxopentyl)ammonium IUPAC Name: cyclohexyl-hexyl-[3-(1-hydroxyethyl)-4-nitrophenoxy]-pentanoylazanium Traditional Name: cyclohexyl-hexyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-valeryl-ammonium Formula: C25H41N2O5+ MolecularWeight: 449.60344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C1CCCCC1)(C(=O)CCCC)OC2=CC(=C(C=C2)[N+](=O)[O-])C(C)O

Isomeric SMILES

CCCCCC[N+](C1CCCCC1)(C(=O)CCCC)OC2=CC(=C(C=C2)[N+](=O)[O-])C(C)O

InChI

InChI=1S/C25H41N2O5/c1-4-6-8-12-18-27(25(29)15-7-5-2,21-13-10-9-11-14-21)32-22-16-17-24(26(30)31)23(19-22)20(3)28/h16-17,19-21,28H,4-15,18H2,1-3H3/q+1