[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C20H32N3O+ MolecularWeight: 330.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]C(C)CCCC(C)(C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+][C@H](C)CCCC(C)(C)O)C

InChI

InChI=1S/C20H31N3O/c1-14-8-9-17(11-15(14)2)19-18(13-22-23-19)12-21-16(3)7-6-10-20(4,5)24/h8-9,11,13,16,21,24H,6-7,10,12H2,1-5H3,(H,22,23)/p+1/t16-/m1/s1