azanium 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitro-benzoate

Systemtic Name: azanium 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitro-benzoate Openeye Name: ammonium 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitro-benzoate CAS Name: ammonium 4-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-dinitrobenzoate IUPAC Name: azanium 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoate Traditional Name: ammonium 4-[4-(2-hydroxyethyl)piperazino]-3,5-dinitro-benzoate Formula: C13H19N5O7 MolecularWeight: 357.31926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-].[NH4+]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C13H16N4O7.H3N/c18-6-5-14-1-3-15(4-2-14)12-10(16(21)22)7-9(13(19)20)8-11(12)17(23)24;/h7-8,18H,1-6H2,(H,19,20);1H3