methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[2-(4-methylphenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[2-(4-methylphenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[2-(4-methylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid methyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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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)COC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O4/c1-4-25-11-13-26(14-12-25)21-10-7-18(23(28)29-3)15-20(21)24-22(27)16-30-19-8-5-17(2)6-9-19/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,27)/p+1