N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-ethyl-piperidin-1-ium-4-amine

Systemtic Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-ethyl-piperidin-1-ium-4-amine Openeye Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-ethyl-piperidin-1-ium-4-amine CAS Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl]-1-ethyl-4-piperidin-1-iumamine IUPAC Name: N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethylpiperidin-1-ium-4-amine Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)amine Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCC(CC1)NCC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O2/c1-2-28-12-10-21(11-13-28)26-17-20-18-29(22-6-4-3-5-7-22)27-25(20)19-8-9-23-24(16-19)31-15-14-30-23/h3-9,16,18,21,26H,2,10-15,17H2,1H3/p+1