N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H26FN4O+ MolecularWeight: 405.487843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H25FN4O/c1-17-26-14-18(15-27-17)16-29-10-8-19(9-11-29)24(30)28-23-7-3-5-21(13-23)20-4-2-6-22(25)12-20/h2-7,12-15,19H,8-11,16H2,1H3,(H,28,30)/p+1