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

Systemtic Name: 5-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)pentyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium bromide Openeye Name: 5-(4-chloro-2-isopropyl-5-methyl-phenoxy)pentyl-dimethyl-[(5-nitro-2-furyl)methyl]ammonium bromide CAS Name: 5-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentyl-dimethyl-[(5-nitro-2-furanyl)methyl]ammonium bromide IUPAC Name: 5-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium bromide Traditional Name: 5-(4-chloro-2-isopropyl-5-methyl-phenoxy)pentyl-dimethyl-[(5-nitro-2-furyl)methyl]ammonium bromide Formula: C22H32BrClN2O4 MolecularWeight: 503.85748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN2O4.BrH/c1-16(2)19-14-20(23)17(3)13-21(19)28-12-8-6-7-11-25(4,5)15-18-9-10-22(29-18)24(26)27;/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3;1H/q+1;/p-1