(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (3,5-dimethyl-4-nitropyrazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+](C)CC2=CC=C(C=C2)C(=O)NC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+](C)CC2=CC=C(C=C2)C(=O)NC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c1-11-15(21(23)24)12(2)20(18-11)10-19(4)9-13-5-7-14(8-6-13)16(22)17-3/h5-8H,9-10H2,1-4H3,(H,17,22)/p+1