N-propan-2-yl-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-[2-(trifluoromethyl)-4-quinolyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-propan-2-yl-2-[4-[2-(trifluoromethyl)-4-quinolinyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-propan-2-yl-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-[2-(trifluoromethyl)-4-quinolyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H26F3N4O+ MolecularWeight: 395.44185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=CC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H25F3N4O/c1-14(2)24-19(28)13-26-8-5-9-27(11-10-26)17-12-18(20(21,22)23)25-16-7-4-3-6-15(16)17/h3-4,6-7,12,14H,5,8-11,13H2,1-2H3,(H,24,28)/p+1