[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C22H25N6O3+ MolecularWeight: 421.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-16-21(28(30)31)17(2)27(24-16)15-18-3-5-19(6-4-18)22(29)26-13-11-25(12-14-26)20-7-9-23-10-8-20/h3-10H,11-15H2,1-2H3/p+1