4-(4-fluorophenyl)-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]butanamide

Systemtic Name: 4-(4-fluorophenyl)-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]butanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(4-fluorophenyl)-4-oxo-butanamide CAS Name: 4-(4-fluorophenyl)-4-oxo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]butanamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-(4-fluorophenyl)-4-keto-butyramide Formula: C27H29FN3O2+ MolecularWeight: 446.536463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28FN3O2/c28-23-8-6-22(7-9-23)26(32)14-15-27(33)29-24-10-12-25(13-11-24)31-18-16-30(17-19-31)20-21-4-2-1-3-5-21/h1-13H,14-20H2,(H,29,33)/p+1