[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(1-phenylpiperidin-4-yl)azanium

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(1-phenylpiperidin-4-yl)azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(1-phenyl-4-piperidyl)ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(1-phenyl-4-piperidinyl)ammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(1-phenylpiperidin-4-yl)azanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(1-phenyl-4-piperidyl)ammonium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H24N4O2/c1-2-4-19(5-3-1)26-10-8-18(9-11-26)23-13-17-14-24-25-22(17)16-6-7-20-21(12-16)28-15-27-20/h1-7,12,14,18,23H,8-11,13,15H2,(H,24,25)/p+1