methyl 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-21-14(18)6-7-15-8-10-16(11-9-15)12-2-4-13(5-3-12)17(19)20/h2-5H,6-11H2,1H3/p+1