ethyl 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-2-21-14(18)11-15-7-9-16(10-8-15)12-3-5-13(6-4-12)17(19)20/h3-6H,2,7-11H2,1H3/p+1