(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: (3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: (3,5-dimethyl-4-nitropyrazol-1-yl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: (3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

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