4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: 4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxamide CAS Name: 4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: 4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]pyridin-1-ium-3-carboxamide Formula: C19H22F3N4O+ MolecularWeight: 379.39939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C19H21F3N4O/c1-12-10-13(2)24-18(16(12)17(23)27)26-8-6-25(7-9-26)15-5-3-4-14(11-15)19(20,21)22/h3-5,10-11H,6-9H2,1-2H3,(H2,23,27)/p+1