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

Systemtic Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(trifluoromethyl)-1H-quinolin-4-one Openeye Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(trifluoromethyl)-1H-quinolin-4-one CAS Name: 2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-7-(trifluoromethyl)-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(trifluoromethyl)-1H-quinolin-4-one Traditional Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-(trifluoromethyl)-4-quinolone Formula: C17H22F3N3O+2 MolecularWeight: 341.37129

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N3O/c1-11-14(10-23-7-5-22(2)6-8-23)16(24)13-4-3-12(17(18,19)20)9-15(13)21-11/h3-4,9H,5-8,10H2,1-2H3,(H,21,24)/p+2