methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(furan-2-ylcarbonylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(furan-2-carbonylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[2-furanyl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(furan-2-carbonylamino)benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(2-furoylamino)benzoic acid methyl ester Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H23N3O4/c1-3-21-8-10-22(11-9-21)16-7-6-14(19(24)25-2)13-15(16)20-18(23)17-5-4-12-26-17/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,23)/p+1