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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-nitrophenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-nitrophenyl)ethyl]-butyl-methyl-ammonium Formula: C13H23N3O2+2 MolecularWeight: 253.34062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2/c1-3-4-8-15(2)13(10-14)11-6-5-7-12(9-11)16(17)18/h5-7,9,13H,3-4,8,10,14H2,1-2H3/p+2/t13-/m1/s1