2-methylpropyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-propan-2-yl-azanium

Systemtic Name: 2-methylpropyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-propan-2-yl-azanium Openeye Name: isobutyl-isopropyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 2-methylpropyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-propan-2-ylammonium IUPAC Name: 2-methylpropyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-propan-2-ylazanium Traditional Name: isobutyl-isopropyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]ammonium Formula: C16H24N5O2+ MolecularWeight: 318.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CN1C=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)C[NH+](CN1C=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H23N5O2/c1-12(2)9-19(13(3)4)11-20-10-17-16(18-20)14-5-7-15(8-6-14)21(22)23/h5-8,10,12-13H,9,11H2,1-4H3/p+1