ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate Openeye Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoic acid ethyl ester Formula: C15H22N3O5+ MolecularWeight: 324.35228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-2-23-15(20)12-3-4-13(14(11-12)18(21)22)17-7-5-16(6-8-17)9-10-19/h3-4,11,19H,2,5-10H2,1H3/p+1