[1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azanium

Systemtic Name: [1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azanium Openeye Name: [1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]ammonium CAS Name: [1-[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]ammonium IUPAC Name: [1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]azanium Traditional Name: [1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]ammonium Formula: C18H22F3N4+ MolecularWeight: 351.38929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC(CC3)[NH3+])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC(CC3)[NH3+])C(F)(F)F

InChI

InChI=1S/C18H21F3N4/c1-2-12-3-5-13(6-4-12)15-11-16(18(19,20)21)24-17(23-15)25-9-7-14(22)8-10-25/h3-6,11,14H,2,7-10,22H2,1H3/p+1