(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NN=C1)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H27N3O2/c1-14(2)17-11-21-22-20(17)16-4-3-7-23(13-16)12-15-5-6-18-19(10-15)25-9-8-24-18/h5-6,10-11,14,16H,3-4,7-9,12-13H2,1-2H3,(H,21,22)/p+1/t16-/m0/s1