N-[(4-fluorophenyl)methyl]-1-(5-methoxy-1,3-dihydrobenzimidazol-2-ylidene)piperidin-1-ium-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(5-methoxy-1,3-dihydrobenzimidazol-2-ylidene)piperidin-1-ium-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(5-methoxy-1,3-dihydrobenzimidazol-2-ylidene)piperidin-1-ium-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(5-methoxy-1,3-dihydrobenzimidazol-2-ylidene)-3-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(5-methoxy-1,3-dihydrobenzimidazol-2-ylidene)piperidin-1-ium-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(5-methoxy-1,3-dihydrobenzimidazol-2-ylidene)piperidin-1-ium-3-carboxamide Formula: C21H24FN4O2+ MolecularWeight: 383.439263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=[N+]3CCCC(C3)C(=O)NCC4=CC=C(C=C4)F)N2

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=[N+]3CCCC(C3)C(=O)NCC4=CC=C(C=C4)F)N2

InChI

InChI=1S/C21H23FN4O2/c1-28-17-8-9-18-19(11-17)25-21(24-18)26-10-2-3-15(13-26)20(27)23-12-14-4-6-16(22)7-5-14/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,23,24,25,27)/p+1