[5-[2-[(2S)-butan-2-yl]phenoxy]-1,3-dimethyl-pyrazol-4-yl]methylazanium

Systemtic Name: [5-[2-[(2S)-butan-2-yl]phenoxy]-1,3-dimethyl-pyrazol-4-yl]methylazanium Openeye Name: [1,3-dimethyl-5-[2-[(1S)-1-methylpropyl]phenoxy]pyrazol-4-yl]methylammonium CAS Name: [5-[2-[(2S)-butan-2-yl]phenoxy]-1,3-dimethyl-4-pyrazolyl]methylammonium IUPAC Name: [5-[2-[(2S)-butan-2-yl]phenoxy]-1,3-dimethylpyrazol-4-yl]methylazanium Traditional Name: [1,3-dimethyl-5-[2-[(1S)-1-methylpropyl]phenoxy]pyrazol-4-yl]methylammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC2=C(C(=NN2C)C)C[NH3+]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC2=C(C(=NN2C)C)C[NH3+]

InChI

InChI=1S/C16H23N3O/c1-5-11(2)13-8-6-7-9-15(13)20-16-14(10-17)12(3)18-19(16)4/h6-9,11H,5,10,17H2,1-4H3/p+1/t11-/m0/s1