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

Systemtic Name: propan-2-yl 4-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-phenoxyethyl)piperazine-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)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4/c1-19(2)31-24(29)20-8-10-21(11-9-20)25-23(28)18-27-14-12-26(13-15-27)16-17-30-22-6-4-3-5-7-22/h3-11,19H,12-18H2,1-2H3,(H,25,28)/p+2