2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-nitro-phenolate Openeye Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-nitro-phenolate CAS Name: 2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-nitrophenolate Traditional Name: 2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-nitro-phenolate Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H18N4O4/c1-15-4-6-16(7-5-15)9-13(19)14-11-8-10(17(20)21)2-3-12(11)18/h2-3,8,18H,4-7,9H2,1H3,(H,14,19)