2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)-1H-quinolin-4-one

Systemtic Name: 2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)-1H-quinolin-4-one Openeye Name: 2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)-1H-quinolin-4-one CAS Name: 2-methyl-3-(1-pyrrolidin-1-iumylmethyl)-7-(trifluoromethyl)-1H-quinolin-4-one IUPAC Name: 2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)-1H-quinolin-4-one Traditional Name: 2-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-7-(trifluoromethyl)-4-quinolone Formula: C16H18F3N2O+ MolecularWeight: 311.32213

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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+]3CCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C[NH+]3CCCC3

InChI

InChI=1S/C16H17F3N2O/c1-10-13(9-21-6-2-3-7-21)15(22)12-5-4-11(16(17,18)19)8-14(12)20-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,22)/p+1