propan-2-yl 4-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H27N3O4/c1-16(2)29-22(28)17-7-9-18(10-8-17)23-21(27)15-24-11-13-25(14-12-24)19-5-3-4-6-20(19)26/h3-10,16,26H,11-15H2,1-2H3,(H,23,27)/p+1