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

Systemtic Name: [(1S)-2-azaniumyl-1-(4-chloranyl-3-nitro-phenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitro-phenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(4-chloro-3-nitrophenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(4-chloro-3-nitrophenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(4-chloro-3-nitro-phenyl)ethyl]-dibutyl-ammonium Formula: C16H28ClN3O2+2 MolecularWeight: 329.86542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3O2/c1-3-5-9-19(10-6-4-2)16(12-18)13-7-8-14(17)15(11-13)20(21)22/h7-8,11,16H,3-6,9-10,12,18H2,1-2H3/p+2/t16-/m1/s1