[2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-oxidanyl-(4-propyloctanoyl)azanium

Systemtic Name: [2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-oxidanyl-(4-propyloctanoyl)azanium Openeye Name: [2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-hydroxy-(4-propyloctanoyl)ammonium CAS Name: [2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]-cyclohexyl-hydroxy-(1-oxo-4-propyloctyl)ammonium IUPAC Name: [2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]-cyclohexyl-hydroxy-(4-propyloctanoyl)azanium Traditional Name: [2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-hydroxy-(4-propyloctanoyl)ammonium Formula: C25H40ClN2O6+ MolecularWeight: 500.0479

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)CCC(=O)[N+](C1CCCCC1)(O)OC2=C(C(=C(C=C2)[N+](=O)[O-])C(C)O)Cl

Isomeric SMILES

CCCCC(CCC)CCC(=O)[N+](C1CCCCC1)(O)OC2=C(C(=C(C=C2)[N+](=O)[O-])C(C)O)Cl

InChI

InChI=1S/C25H40ClN2O6/c1-4-6-11-19(10-5-2)14-17-23(30)28(33,20-12-8-7-9-13-20)34-22-16-15-21(27(31)32)24(18(3)29)25(22)26/h15-16,18-20,29,33H,4-14,17H2,1-3H3/q+1