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

Systemtic Name: butyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3,5-dinitro-benzoate Openeye Name: butyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3,5-dinitro-benzoate CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3,5-dinitrobenzoic acid butyl ester IUPAC Name: butyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3,5-dinitrobenzoate Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3,5-dinitro-benzoic acid butyl ester Formula: C17H25N4O7+ MolecularWeight: 397.403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CC[NH+](CC2)CCO)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CC[NH+](CC2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O7/c1-2-3-10-28-17(23)13-11-14(20(24)25)16(15(12-13)21(26)27)19-6-4-18(5-7-19)8-9-22/h11-12,22H,2-10H2,1H3/p+1