methyl 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzoate

Systemtic Name: methyl 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzoate Openeye Name: methyl 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzoate CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-benzoic acid methyl ester Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-3-15-6-8-16(9-7-15)13-5-4-11(17(19)20)10-12(13)14(18)21-2/h4-5,10H,3,6-9H2,1-2H3/p+1