[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(4-hydroxycyclohexyl)ammonium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)O

Isomeric SMILES

C1CC(CCC1[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)O

InChI

InChI=1S/C23H25N3O3/c27-20-9-7-18(8-10-20)24-13-17-14-26(19-4-2-1-3-5-19)25-23(17)16-6-11-21-22(12-16)29-15-28-21/h1-6,11-12,14,18,20,24,27H,7-10,13,15H2/p+1