[1,3-dimethyl-5-[(1S)-1-phenylethoxy]pyrazol-4-yl]methylazanium

Systemtic Name: [1,3-dimethyl-5-[(1S)-1-phenylethoxy]pyrazol-4-yl]methylazanium Openeye Name: [1,3-dimethyl-5-[(1S)-1-phenylethoxy]pyrazol-4-yl]methylammonium CAS Name: [1,3-dimethyl-5-[(1S)-1-phenylethoxy]-4-pyrazolyl]methylammonium IUPAC Name: [1,3-dimethyl-5-[(1S)-1-phenylethoxy]pyrazol-4-yl]methylazanium Traditional Name: [1,3-dimethyl-5-[(1S)-1-phenylethoxy]pyrazol-4-yl]methylammonium Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH3+])OC(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1C[NH3+])O[C@@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C14H19N3O/c1-10-13(9-15)14(17(3)16-10)18-11(2)12-7-5-4-6-8-12/h4-8,11H,9,15H2,1-3H3/p+1/t11-/m0/s1