2-methylbutyl-[3-(4-nitrophenyl)propyl]azanium chloride

Systemtic Name: 2-methylbutyl-[3-(4-nitrophenyl)propyl]azanium chloride Openeye Name: 2-methylbutyl-[3-(4-nitrophenyl)propyl]ammonium chloride CAS Name: 2-methylbutyl-[3-(4-nitrophenyl)propyl]ammonium chloride IUPAC Name: 2-methylbutyl-[3-(4-nitrophenyl)propyl]azanium chloride Traditional Name: 2-methylbutyl-[3-(4-nitrophenyl)propyl]ammonium chloride Formula: C14H23ClN2O2 MolecularWeight: 286.79762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH2+]CCCC1=CC=C(C=C1)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCC(C)C[NH2+]CCCC1=CC=C(C=C1)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H22N2O2.ClH/c1-3-12(2)11-15-10-4-5-13-6-8-14(9-7-13)16(17)18;/h6-9,12,15H,3-5,10-11H2,1-2H3;1H