N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[(1-methyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]propionamide Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)CC3=NC=CN3C

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)CC3=NC=CN3C

InChI

InChI=1S/C20H27FN4O/c1-15-12-17(21)6-7-18(15)23-20(26)8-5-16-4-3-10-25(13-16)14-19-22-9-11-24(19)2/h6-7,9,11-12,16H,3-5,8,10,13-14H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1