propan-2-yl 4-[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetyl]amino]benzoic acid isopropyl ester Formula: C24H33N3O4+2 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3O4/c1-18(2)31-24(29)20-6-8-21(9-7-20)25-23(28)17-27-14-12-26(13-15-27)16-19-4-10-22(30-3)11-5-19/h4-11,18H,12-17H2,1-3H3,(H,25,28)/p+2