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

Systemtic Name: heptanoyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-methyl-phenyl-azanium Openeye Name: heptanoyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-methyl-phenyl-ammonium CAS Name: [3-(1-hydroxyethyl)-4-nitrophenoxy]-methyl-(1-oxoheptyl)-phenylammonium IUPAC Name: heptanoyl-[3-(1-hydroxyethyl)-4-nitrophenoxy]-methyl-phenylazanium Traditional Name: enanthyl-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-methyl-phenyl-ammonium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)[N+](C)(C1=CC=CC=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(C)O

Isomeric SMILES

CCCCCCC(=O)[N+](C)(C1=CC=CC=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(C)O

InChI

InChI=1S/C22H29N2O5/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/h7-9,11-12,14-17,25H,4-6,10,13H2,1-3H3/q+1