ethyl 3-(furan-2-ylcarbonylamino)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 3-(furan-2-ylcarbonylamino)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-(furan-2-carbonylamino)benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-(furan-2-carbonylamino)benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(2-furoylamino)benzoic acid ethyl ester Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O4/c1-2-31-25(30)20-10-11-22(21(17-20)26-24(29)23-9-6-16-32-23)28-14-12-27(13-15-28)18-19-7-4-3-5-8-19/h3-11,16-17H,2,12-15,18H2,1H3,(H,26,29)/p+1