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

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

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CC[NH+](CC3)CC

InChI

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