7-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)heptyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium bromide

Systemtic Name: 7-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)heptyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium bromide Openeye Name: 7-(4-chloro-2-isopropyl-5-methyl-phenoxy)heptyl-dimethyl-[(5-nitro-2-furyl)methyl]ammonium bromide CAS Name: 7-(4-chloro-5-methyl-2-propan-2-ylphenoxy)heptyl-dimethyl-[(5-nitro-2-furanyl)methyl]ammonium bromide IUPAC Name: 7-(4-chloro-5-methyl-2-propan-2-ylphenoxy)heptyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium bromide Traditional Name: 7-(4-chloro-2-isopropyl-5-methyl-phenoxy)heptyl-dimethyl-[(5-nitro-2-furyl)methyl]ammonium bromide Formula: C24H36BrClN2O4 MolecularWeight: 531.91064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCCCCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCCCCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C24H36ClN2O4.BrH/c1-18(2)21-16-22(25)19(3)15-23(21)30-14-10-8-6-7-9-13-27(4,5)17-20-11-12-24(31-20)26(28)29;/h11-12,15-16,18H,6-10,13-14,17H2,1-5H3;1H/q+1;/p-1