4,6-dimethyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3H-pyridazine

Systemtic Name: 4,6-dimethyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3H-pyridazine Openeye Name: 4,6-dimethyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3H-pyridazine CAS Name: 4,6-dimethyl-2-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]-3H-pyridazine IUPAC Name: 4,6-dimethyl-2-(2-nitro-5-piperazin-4-ium-1-ylphenyl)-3H-pyridazine Traditional Name: 4,6-dimethyl-2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-3H-pyridazine Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN(C1)C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN(C1)C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N5O2/c1-12-9-13(2)18-20(11-12)16-10-14(3-4-15(16)21(22)23)19-7-5-17-6-8-19/h3-4,9-10,17H,5-8,11H2,1-2H3/p+1