1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1-piperonyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C22H27N6O2+ MolecularWeight: 407.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NN=NN3CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H26N6O2/c1-16-4-3-5-19(17(16)2)27-10-8-26(9-11-27)14-22-23-24-25-28(22)13-18-6-7-20-21(12-18)30-15-29-20/h3-7,12H,8-11,13-15H2,1-2H3/p+1