6-[[4-(2-ethyl-5-fluoranyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]quinoxaline

Systemtic Name: 6-[[4-(2-ethyl-5-fluoranyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]quinoxaline Openeye Name: 6-[[4-(2-ethyl-5-fluoro-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]quinoxaline CAS Name: 6-[[4-(2-ethyl-5-fluoro-1-benzimidazolyl)-1-piperidin-1-iumyl]methyl]quinoxaline IUPAC Name: 6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]quinoxaline Traditional Name: 6-[[4-(2-ethyl-5-fluoro-benzimidazol-1-yl)piperidin-1-ium-1-yl]methyl]quinoxaline Formula: C23H25FN5+ MolecularWeight: 390.476503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC5=NC=CN=C5C=C4)C=CC(=C2)F

Isomeric SMILES

CCC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC5=NC=CN=C5C=C4)C=CC(=C2)F

InChI

InChI=1S/C23H24FN5/c1-2-23-27-21-14-17(24)4-6-22(21)29(23)18-7-11-28(12-8-18)15-16-3-5-19-20(13-16)26-10-9-25-19/h3-6,9-10,13-14,18H,2,7-8,11-12,15H2,1H3/p+1