2-[1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-[(4-chlorophenyl)methyl]piperidin-1-ium-1-yl]quinazoline-4-carboxamide

Systemtic Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-2-[(4-chlorophenyl)methyl]piperidin-1-ium-1-yl]quinazoline-4-carboxamide Openeye Name: 2-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-1-ium-1-yl]quinazoline-4-carboxamide CAS Name: 2-[1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-2-[(4-chlorophenyl)methyl]-1-piperidin-1-iumyl]-4-quinazolinecarboxamide IUPAC Name: 2-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-1-ium-1-yl]quinazoline-4-carboxamide Traditional Name: 2-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-(4-chlorobenzyl)piperidin-1-ium-1-yl]quinazoline-4-carboxamide Formula: C30H24ClF6N4O2+ MolecularWeight: 621.980579

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC2=CC=C(C=C2)Cl)(C3=NC4=CC=CC=C4C(=N3)C(=O)N)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC[N+](C(C1)CC2=CC=C(C=C2)Cl)(C3=NC4=CC=CC=C4C(=N3)C(=O)N)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C30H23ClF6N4O2/c31-21-10-8-17(9-11-21)13-22-5-3-4-12-41(22,28-39-24-7-2-1-6-23(24)25(40-28)26(38)42)27(43)18-14-19(29(32,33)34)16-20(15-18)30(35,36)37/h1-2,6-11,14-16,22H,3-5,12-13H2,(H-,38,42)/p+1