[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O3/c1-13-15(11-19(2)18-13)12-20-7-9-21(10-8-20)17(23)14-3-5-16(6-4-14)22(24)25/h3-6,11H,7-10,12H2,1-2H3/p+1