N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3,5-bis(trifluoromethyl)benzamide Formula: C19H19F6N4O+ MolecularWeight: 433.370779

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H18F6N4O/c1-28-4-6-29(7-5-28)16-3-2-15(11-26-16)27-17(30)12-8-13(18(20,21)22)10-14(9-12)19(23,24)25/h2-3,8-11H,4-7H2,1H3,(H,27,30)/p+1