2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-16-22(27(29)30)17(2)26(23-16)15-21(28)25-12-10-24(11-13-25)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-9H,10-15H2,1-2H3/p+1