(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(NN=C1)C2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC(C)CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C20H27N3O2/c1-14(2)9-17-10-21-22-19(17)15-6-4-8-23(11-15)12-16-5-3-7-18-20(16)25-13-24-18/h3,5,7,10,14-15H,4,6,8-9,11-13H2,1-2H3,(H,21,22)/p+1/t15-/m0/s1