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

Systemtic Name: 4-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)butyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium Openeye Name: 4-(4-chloro-2-isopropyl-5-methyl-phenoxy)butyl-dimethyl-[(5-nitro-2-furyl)methyl]ammonium CAS Name: 4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl-dimethyl-[(5-nitro-2-furanyl)methyl]ammonium IUPAC Name: 4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl-dimethyl-[(5-nitrofuran-2-yl)methyl]azanium Traditional Name: 4-(4-chloro-2-isopropyl-5-methyl-phenoxy)butyl-dimethyl-[(5-nitro-2-furyl)methyl]ammonium Formula: C21H30ClN2O4+ MolecularWeight: 409.9269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCCCC[N+](C)(C)CC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C21H30ClN2O4/c1-15(2)18-13-19(22)16(3)12-20(18)27-11-7-6-10-24(4,5)14-17-8-9-21(28-17)23(25)26/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3/q+1