1-cyclohexyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium

Systemtic Name: 1-cyclohexyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium Openeye Name: 1-cyclohexyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium CAS Name: 1-cyclohexyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl]piperazin-1-ium IUPAC Name: 1-cyclohexyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]piperazin-1-ium Traditional Name: 1-cyclohexyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]piperazin-1-ium Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)CN4CC[NH+](CC4)C5CCCCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)CN4CC[NH+](CC4)C5CCCCC5

InChI

InChI=1S/C23H32N4O2/c1-25-16-19(17-26-9-11-27(12-10-26)20-5-3-2-4-6-20)23(24-25)18-7-8-21-22(15-18)29-14-13-28-21/h7-8,15-16,20H,2-6,9-14,17H2,1H3/p+1