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

Systemtic Name: 1-(furan-2-ylcarbonyl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]piperidine-4-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[2-furanyl(oxo)methyl]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-(2-furoyl)isonipecotamide Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C28H32N4O3/c33-27(23-12-14-32(15-13-23)28(34)26-7-4-20-35-26)29-24-8-10-25(11-9-24)31-18-16-30(17-19-31)21-22-5-2-1-3-6-22/h1-11,20,23H,12-19,21H2,(H,29,33)/p+1