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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-butyl-ethyl-ammonium Formula: C14H25N3O2+2 MolecularWeight: 267.3672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2/c1-3-5-9-16(4-2)14(11-15)12-7-6-8-13(10-12)17(18)19/h6-8,10,14H,3-5,9,11,15H2,1-2H3/p+2/t14-/m1/s1