1-[1-[3-[(4-fluorophenyl)amino]propyl]piperidin-4-yl]-3-oxidanylidene-benzimidazol-3-ium-2-one

Systemtic Name: 1-[1-[3-[(4-fluorophenyl)amino]propyl]piperidin-4-yl]-3-oxidanylidene-benzimidazol-3-ium-2-one Openeye Name: 1-[1-[3-(4-fluoroanilino)propyl]-4-piperidyl]-3-oxo-benzimidazol-3-ium-2-one CAS Name: 1-[1-[3-(4-fluoroanilino)propyl]-4-piperidinyl]-3-oxo-2-benzimidazol-3-iumone IUPAC Name: 1-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-3-oxobenzimidazol-3-ium-2-one Traditional Name: 1-[1-[3-(4-fluoroanilino)propyl]-4-piperidyl]-3-keto-benzimidazol-3-ium-2-one Formula: C21H24FN4O2+ MolecularWeight: 383.439263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3[N+](=O)C2=O)CCCNC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3[N+](=O)C2=O)CCCNC4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN4O2/c22-16-6-8-17(9-7-16)23-12-3-13-24-14-10-18(11-15-24)25-19-4-1-2-5-20(19)26(28)21(25)27/h1-2,4-9,18,23H,3,10-15H2/q+1