methyl (2S)-2-phenyl-2-[2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyethanoylamino]ethanoate

Systemtic Name: methyl (2S)-2-phenyl-2-[2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyethanoylamino]ethanoate Openeye Name: methyl (2S)-2-phenyl-2-[[2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetyl]amino]acetate CAS Name: (2S)-2-[[1-oxo-2-[[6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinyl]oxy]ethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-phenyl-2-[[2-[6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridazin-3-yl]oxyacetyl]amino]acetate Traditional Name: (2S)-2-phenyl-2-[[2-[6-(4-pyridin-1-ium-2-ylpiperazino)pyridazin-3-yl]oxyacetyl]amino]acetic acid methyl ester Formula: C24H27N6O4+ MolecularWeight: 463.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)COC2=NN=C(C=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H26N6O4/c1-33-24(32)23(18-7-3-2-4-8-18)26-21(31)17-34-22-11-10-20(27-28-22)30-15-13-29(14-16-30)19-9-5-6-12-25-19/h2-12,23H,13-17H2,1H3,(H,26,31)/p+1/t23-/m0/s1