3-(3,5-dimethylpyrazol-1-yl)propyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH2+]CC(C2=CC=CC=C2)O)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH2+]C[C@H](C2=CC=CC=C2)O)C

InChI

InChI=1S/C16H23N3O/c1-13-11-14(2)19(18-13)10-6-9-17-12-16(20)15-7-4-3-5-8-15/h3-5,7-8,11,16-17,20H,6,9-10,12H2,1-2H3/p+1/t16-/m1/s1