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

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-furamide Formula: C22H24N3O2+ MolecularWeight: 362.44486

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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=CO4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2/c26-22(21-7-4-16-27-21)23-19-8-10-20(11-9-19)25-14-12-24(13-15-25)17-18-5-2-1-3-6-18/h1-11,16H,12-15,17H2,(H,23,26)/p+1