4-(1,4-diazepan-4-ium-1-yl)-6-methyl-2-(trifluoromethyl)quinolin-1-ium

Systemtic Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)-6-methyl-2-(trifluoromethyl)quinolin-1-ium Formula: C16H20F3N3+2 MolecularWeight: 311.34531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C16H18F3N3/c1-11-3-4-13-12(9-11)14(10-15(21-13)16(17,18)19)22-7-2-5-20-6-8-22/h3-4,9-10,20H,2,5-8H2,1H3/p+2