ethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1-(4-methoxyphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1-(4-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)-5-[(4-piperonylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C26H31N4O5+ MolecularWeight: 479.54814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N4O5/c1-3-33-26(31)22-15-27-30(20-5-7-21(32-2)8-6-20)23(22)17-29-12-10-28(11-13-29)16-19-4-9-24-25(14-19)35-18-34-24/h4-9,14-15H,3,10-13,16-18H2,1-2H3/p+1