(1S)-2-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-1-phenyl-ethanol

Systemtic Name: (1S)-2-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-1-phenyl-ethanol Openeye Name: (1S)-2-(2,3-dimethyl-5-methylene-1H-pyrazol-2-ium-2-yl)-1-phenyl-ethanol CAS Name: (1S)-2-(2,3-dimethyl-5-methylene-1H-pyrazol-2-ium-2-yl)-1-phenylethanol IUPAC Name: (1S)-2-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-1-phenylethanol Traditional Name: (1S)-2-(1,5-dimethyl-3-methylene-3-pyrazolin-1-ium-1-yl)-1-phenyl-ethanol Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C)N[N+]1(C)CC(C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C)N[N+]1(C)C[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C14H19N2O/c1-11-9-12(2)16(3,15-11)10-14(17)13-7-5-4-6-8-13/h4-9,14-15,17H,1,10H2,2-3H3/q+1/t14-,16?/m1/s1