cyclohexyl-heptanoyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-methyl-azanium

Systemtic Name: cyclohexyl-heptanoyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-methyl-azanium Openeye Name: cyclohexyl-heptanoyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-methyl-ammonium CAS Name: cyclohexyl-[3-(1-hydroxyethyl)-4-nitrophenoxy]-methyl-(1-oxoheptyl)ammonium IUPAC Name: cyclohexyl-heptanoyl-[3-(1-hydroxyethyl)-4-nitrophenoxy]-methylazanium Traditional Name: cyclohexyl-enanthyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-methyl-ammonium Formula: C22H35N2O5+ MolecularWeight: 407.5237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N2O5/c1-4-5-6-10-13-22(26)24(3,18-11-8-7-9-12-18)29-19-14-15-21(23(27)28)20(16-19)17(2)25/h14-18,25H,4-13H2,1-3H3/q+1