N-[4-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[oxo-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]phenyl]-2-furamide Formula: C29H29N4O3+ MolecularWeight: 481.56556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C29H28N4O3/c34-28(23-8-10-24(11-9-23)31-29(35)27-7-4-20-36-27)30-25-12-14-26(15-13-25)33-18-16-32(17-19-33)21-22-5-2-1-3-6-22/h1-15,20H,16-19,21H2,(H,30,34)(H,31,35)/p+1