1,3-benzodioxol-5-yl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Formula: C19H24N3O3+ MolecularWeight: 342.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O3/c23-19(15-5-6-17-18(12-15)25-14-24-17)16-4-1-8-21(13-16)9-3-11-22-10-2-7-20-22/h2,5-7,10,12,16H,1,3-4,8-9,11,13-14H2/p+1/t16-/m0/s1