[(2S)-2-[butyl(methyl)amino]-2-(4-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-2-[butyl(methyl)amino]-2-(4-nitrophenyl)ethyl]azanium Openeye Name: [(2S)-2-[butyl(methyl)amino]-2-(4-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-2-[butyl(methyl)amino]-2-(4-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-[butyl(methyl)amino]-2-(4-nitrophenyl)ethyl]azanium Traditional Name: [(2S)-2-[butyl(methyl)amino]-2-(4-nitrophenyl)ethyl]ammonium Formula: C13H22N3O2+ MolecularWeight: 252.33268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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