N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2/c1-13-16(14(2)22(20-13)15-8-5-4-6-9-15)12-21(3)18-17(23(24)25)10-7-11-19-18/h4-11H,12H2,1-3H3/p+1