[(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-dibutyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-dibutyl-ammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2/c1-3-5-10-18(11-6-4-2)16(13-17)14-8-7-9-15(12-14)19(20)21/h7-9,12,16H,3-6,10-11,13,17H2,1-2H3/p+2/t16-/m1/s1