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

Systemtic Name: methyl 4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H24N3O4+ MolecularWeight: 370.42226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-27-20(26)15-2-4-16(5-3-15)21-19(25)14-22-10-12-23(13-11-22)17-6-8-18(24)9-7-17/h2-9,24H,10-14H2,1H3,(H,21,25)/p+1