methyl 3-[2-(2-chloranylphenoxy)ethanoylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 3-[2-(2-chloranylphenoxy)ethanoylamino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[[2-(2-chlorophenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O4/c1-24-9-11-25(12-10-24)18-8-7-15(21(27)28-2)13-17(18)23-20(26)14-29-19-6-4-3-5-16(19)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/p+1