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

Systemtic Name: methyl 3-[2-(3,4-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C24H32N3O4+ MolecularWeight: 426.52858

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-5-26-10-12-27(13-11-26)22-9-7-19(24(29)30-4)15-21(22)25-23(28)16-31-20-8-6-17(2)18(3)14-20/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,25,28)/p+1