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

Systemtic Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Openeye Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium IUPAC Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-ium Traditional Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(4-isopropyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-13(2)16-9-20-21-18(16)14-6-4-8-22(10-14)11-15-5-3-7-17-19(15)24-12-23-17/h3,5,7,9,13-14H,4,6,8,10-12H2,1-2H3,(H,20,21)/p+1/t14-/m0/s1