dimethyl 5-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C29H32N3O5+ MolecularWeight: 502.58148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H31N3O5/c1-36-28(34)23-17-24(29(35)37-2)19-25(18-23)30-26(33)20-31-13-15-32(16-14-31)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,17-19,27H,13-16,20H2,1-2H3,(H,30,33)/p+1