N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide Formula: C21H22F6N3O+ MolecularWeight: 446.409299

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H21F6N3O/c1-2-29-7-9-30(10-8-29)18-6-4-3-5-17(18)28-19(31)14-11-15(20(22,23)24)13-16(12-14)21(25,26)27/h3-6,11-13H,2,7-10H2,1H3,(H,28,31)/p+1