(3S)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]pyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-[4-(3,5-dimethylpyrazol-1-yl)benzyl]pyrrolidin-1-ium-3-ol Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C[NH+]3CCC(C3)O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C[NH+]3CC[C@@H](C3)O)C

InChI

InChI=1S/C16H21N3O/c1-12-9-13(2)19(17-12)15-5-3-14(4-6-15)10-18-8-7-16(20)11-18/h3-6,9,16,20H,7-8,10-11H2,1-2H3/p+1/t16-/m0/s1