dimethyl-[3-[[(1S)-1-(2-nitrophenyl)ethyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(1S)-1-(2-nitrophenyl)ethyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(1S)-1-(2-nitrophenyl)ethyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[(1S)-1-(2-nitrophenyl)ethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(1S)-1-(2-nitrophenyl)ethyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[(1S)-1-(2-nitrophenyl)ethyl]amino]propyl]ammonium Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2/c1-11(14-9-6-10-15(2)3)12-7-4-5-8-13(12)16(17)18/h4-5,7-8,11,14H,6,9-10H2,1-3H3/p+1/t11-/m0/s1