[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: [3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: [3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: [3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: [3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C19H29FN3O+ MolecularWeight: 334.451463

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)[NH2+]CC1=CN(N=C1C2=CC=CC=C2F)C

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+]CC1=CN(N=C1C2=CC=CC=C2F)C

InChI

InChI=1S/C19H28FN3O/c1-14(8-7-11-19(2,3)24)21-12-15-13-23(4)22-18(15)16-9-5-6-10-17(16)20/h5-6,9-10,13-14,21,24H,7-8,11-12H2,1-4H3/p+1/t14-/m1/s1