[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl] furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl] furan-2-carboxylate Openeye Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl] ester Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CO4

InChI

InChI=1S/C24H25N3O4/c28-23(18-31-24(29)22-7-4-16-30-22)25-20-8-10-21(11-9-20)27-14-12-26(13-15-27)17-19-5-2-1-3-6-19/h1-11,16H,12-15,17-18H2,(H,25,28)/p+1