cyclohexylmethyl-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium

Systemtic Name: cyclohexylmethyl-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propyl]-(furan-2-ylmethyl)azanium Openeye Name: cyclohexylmethyl-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-(2-furylmethyl)ammonium CAS Name: cyclohexylmethyl-[(2R)-3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-(2-furanylmethyl)ammonium IUPAC Name: cyclohexylmethyl-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-(furan-2-ylmethyl)azanium Traditional Name: cyclohexylmethyl-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C[NH+](CC2CCCCC2)CC3=CC=CO3)O)C

Isomeric SMILES

CC1=CC(=NN1C[C@@H](C[NH+](CC2CCCCC2)CC3=CC=CO3)O)C

InChI

InChI=1S/C20H31N3O2/c1-16-11-17(2)23(21-16)14-19(24)13-22(15-20-9-6-10-25-20)12-18-7-4-3-5-8-18/h6,9-11,18-19,24H,3-5,7-8,12-15H2,1-2H3/p+1/t19-/m1/s1