6-methyl-1-(2-nitrophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one CAS Name: 6-methyl-1-(2-nitrophenyl)-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridazinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-(2-nitrophenyl)pyridazin-4-one Formula: C23H24N5O4+ MolecularWeight: 434.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O4/c1-17-15-21(29)22(24-27(17)19-9-5-6-10-20(19)28(31)32)23(30)26-13-11-25(12-14-26)16-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3/p+1