1-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Formula: C23H28FN4O2+ MolecularWeight: 411.492423

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

InChI

InChI=1S/C23H27FN4O2/c1-3-10-27-21-6-4-5-7-22(21)28(23(27)30)16-25-11-13-26(14-12-25)20-9-8-18(17(2)29)15-19(20)24/h4-9,15H,3,10-14,16H2,1-2H3/p+1