ethyl 3-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

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