[(1S)-2-azaniumyl-1-(4-chloranyl-3-nitro-phenyl)ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(4-chloranyl-3-nitro-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitro-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-chloro-3-nitrophenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitrophenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(4-chloro-3-nitro-phenyl)ethyl]-butyl-methyl-ammonium Formula: C13H22ClN3O2+2 MolecularWeight: 287.78568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H20ClN3O2/c1-3-4-7-16(2)13(9-15)10-5-6-11(14)12(8-10)17(18)19/h5-6,8,13H,3-4,7,9,15H2,1-2H3/p+2/t13-/m1/s1