N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methylquinoline-4-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2-methyl-cinchoninamide Formula: C23H25FN3O+ MolecularWeight: 378.462503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CCC[NH+](C3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H24FN3O/c1-16-13-20(19-9-3-5-11-22(19)25-16)23(28)26-18-8-6-12-27(15-18)14-17-7-2-4-10-21(17)24/h2-5,7,9-11,13,18H,6,8,12,14-15H2,1H3,(H,26,28)/p+1/t18-/m0/s1