[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(2-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(2-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (2-allyloxyphenyl)methyl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: [(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]-[(2-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-[(2-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (2-allyloxybenzyl)-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CC=CC=C3OCC=C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C22H25N3O/c1-4-14-26-22-13-9-8-10-19(22)15-23-17(2)21-16-24-25(18(21)3)20-11-6-5-7-12-20/h4-13,16-17,23H,1,14-15H2,2-3H3/p+1/t17-/m0/s1