2-methyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-(trifluoromethyl)-1H-quinolin-4-one

Systemtic Name: 2-methyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-(trifluoromethyl)-1H-quinolin-4-one Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one CAS Name: 2-methyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7-(trifluoromethyl)-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-7-(trifluoromethyl)-4-quinolone Formula: C23H26F3N3O+2 MolecularWeight: 417.46725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24F3N3O/c1-16-20(22(30)19-8-7-18(23(24,25)26)13-21(19)27-16)15-29-11-9-28(10-12-29)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,27,30)/p+2