(1-propan-2-ylpiperidin-1-ium-4-yl)-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (1-propan-2-ylpiperidin-1-ium-4-yl)-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (1-propan-2-yl-4-piperidin-1-iumyl)-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (1-propan-2-ylpiperidin-1-ium-4-yl)-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[3-(trifluoromethyl)benzyl]ammonium Formula: C16H25F3N2+2 MolecularWeight: 302.37831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H23F3N2/c1-12(2)21-8-6-15(7-9-21)20-11-13-4-3-5-14(10-13)16(17,18)19/h3-5,10,12,15,20H,6-9,11H2,1-2H3/p+2