1-ethyl-3-[2-(4-fluorophenyl)carbonylpiperidin-1-yl]-1-methyl-benzimidazol-1-ium-2-one

Systemtic Name: 1-ethyl-3-[2-(4-fluorophenyl)carbonylpiperidin-1-yl]-1-methyl-benzimidazol-1-ium-2-one Openeye Name: 1-ethyl-3-[2-(4-fluorobenzoyl)-1-piperidyl]-1-methyl-benzimidazol-1-ium-2-one CAS Name: 1-ethyl-3-[2-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-1-methyl-2-benzimidazol-1-iumone IUPAC Name: 1-ethyl-3-[2-(4-fluorobenzoyl)piperidin-1-yl]-1-methylbenzimidazol-1-ium-2-one Traditional Name: 1-ethyl-3-[2-(4-fluorobenzoyl)piperidino]-1-methyl-benzimidazol-1-ium-2-one Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC=C2N(C1=O)N3CCCCC3C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC[N+]1(C2=CC=CC=C2N(C1=O)N3CCCCC3C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H25FN3O2/c1-3-26(2)20-10-5-4-8-18(20)25(22(26)28)24-15-7-6-9-19(24)21(27)16-11-13-17(23)14-12-16/h4-5,8,10-14,19H,3,6-7,9,15H2,1-2H3/q+1