N-phenyl-N-propan-2-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-phenyl-N-propan-2-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-phenyl-N-propan-2-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-phenyl-N-propan-2-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-N-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H28F3N4O+ MolecularWeight: 421.47913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C[NH+]2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H27F3N4O/c1-17(2)29(19-7-4-3-5-8-19)21(30)16-27-11-6-12-28(14-13-27)20-10-9-18(15-26-20)22(23,24)25/h3-5,7-10,15,17H,6,11-14,16H2,1-2H3/p+1