methyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-(4-o-phenetylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H27N3O4/c1-3-29-20-11-7-6-10-19(20)25-14-12-24(13-15-25)16-21(26)23-18-9-5-4-8-17(18)22(27)28-2/h4-11H,3,12-16H2,1-2H3,(H,23,26)/p+1