3-[2-[4-(4-fluorophenyl)carbonyl-1,4-dimethyl-piperidin-1-ium-1-yl]ethyl]-3-methyl-1H-quinazolin-3-ium-2,4-dione

Systemtic Name: 3-[2-[4-(4-fluorophenyl)carbonyl-1,4-dimethyl-piperidin-1-ium-1-yl]ethyl]-3-methyl-1H-quinazolin-3-ium-2,4-dione Openeye Name: 3-[2-[4-(4-fluorobenzoyl)-1,4-dimethyl-piperidin-1-ium-1-yl]ethyl]-3-methyl-1H-quinazolin-3-ium-2,4-dione CAS Name: 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-dimethyl-1-piperidin-1-iumyl]ethyl]-3-methyl-1H-quinazolin-3-ium-2,4-dione IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)-1,4-dimethylpiperidin-1-ium-1-yl]ethyl]-3-methyl-1H-quinazolin-3-ium-2,4-dione Traditional Name: 3-[2-[4-(4-fluorobenzoyl)-1,4-dimethyl-piperidin-1-ium-1-yl]ethyl]-3-methyl-1H-quinazolin-3-ium-2,4-quinone Formula: C25H30FN3O3+2 MolecularWeight: 439.522403

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC[N+](CC1)(C)CC[N+]2(C(=O)C3=CC=CC=C3NC2=O)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1(CC[N+](CC1)(C)CC[N+]2(C(=O)C3=CC=CC=C3NC2=O)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN3O3/c1-25(22(30)18-8-10-19(26)11-9-18)12-14-28(2,15-13-25)16-17-29(3)23(31)20-6-4-5-7-21(20)27-24(29)32/h4-11H,12-17H2,1-3H3/q+1/p+1