2-[(3-fluoranyl-4-methoxy-phenyl)carbonylamino]-N-phenethyl-1-propan-2-yl-piperidin-1-ium-1-carboxamide

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)carbonylamino]-N-phenethyl-1-propan-2-yl-piperidin-1-ium-1-carboxamide Openeye Name: 2-[(3-fluoro-4-methoxy-benzoyl)amino]-1-isopropyl-N-phenethyl-piperidin-1-ium-1-carboxamide CAS Name: 2-[[(3-fluoro-4-methoxyphenyl)-oxomethyl]amino]-N-phenethyl-1-propan-2-yl-1-piperidin-1-iumcarboxamide IUPAC Name: 2-[(3-fluoro-4-methoxybenzoyl)amino]-N-phenethyl-1-propan-2-ylpiperidin-1-ium-1-carboxamide Traditional Name: 2-[(3-fluoro-4-methoxy-benzoyl)amino]-1-isopropyl-N-phenethyl-piperidin-1-ium-1-carboxamide Formula: C25H33FN3O3+ MolecularWeight: 442.546223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCCCC1NC(=O)C2=CC(=C(C=C2)OC)F)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)[N+]1(CCCCC1NC(=O)C2=CC(=C(C=C2)OC)F)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H32FN3O3/c1-18(2)29(25(31)27-15-14-19-9-5-4-6-10-19)16-8-7-11-23(29)28-24(30)20-12-13-22(32-3)21(26)17-20/h4-6,9-10,12-13,17-18,23H,7-8,11,14-16H2,1-3H3,(H-,27,28,30,31)/p+1