2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]methyl]-4-nitro-phenolate Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)O

InChI

InChI=1S/C19H22N4O5/c24-17-4-1-15(2-5-17)22-9-7-21(8-10-22)13-19(26)20-12-14-11-16(23(27)28)3-6-18(14)25/h1-6,11,24-25H,7-10,12-13H2,(H,20,26)