cyclobutyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium

Systemtic Name: cyclobutyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: cyclobutyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: cyclobutyl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: cyclobutyl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: cyclobutyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]C3CCC3

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]C3CCC3

InChI

InChI=1S/C16H21N3/c1-12(18-14-7-6-8-14)16-11-17-19(13(16)2)15-9-4-3-5-10-15/h3-5,9-12,14,18H,6-8H2,1-2H3/p+1/t12-/m0/s1