(1-ethoxycarbonylpiperidin-4-yl)-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (1-ethoxycarbonylpiperidin-4-yl)-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (1-ethoxycarbonyl-4-piperidyl)-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (1-ethoxycarbonyl-4-piperidinyl)-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (1-ethoxycarbonylpiperidin-4-yl)-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[3-(trifluoromethyl)benzyl]ammonium Formula: C16H22F3N2O2+ MolecularWeight: 331.35329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H21F3N2O2/c1-2-23-15(22)21-8-6-14(7-9-21)20-11-12-4-3-5-13(10-12)16(17,18)19/h3-5,10,14,20H,2,6-9,11H2,1H3/p+1