1-(1,3-benzodioxol-5-ylmethyl)-4-[(R)-(4-methylphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(R)-(4-methylphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(R)-p-tolyl-[1-(2-thienylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(R)-(4-methylphenyl)-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(R)-(4-methylphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium Traditional Name: 1-piperonyl-4-[(R)-p-tolyl-[1-(2-thenyl)tetrazol-5-yl]methyl]piperazine-1,4-diium Formula: C26H30N6O2S+2 MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NN=NN2CC3=CC=CS3)[NH+]4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=NN=NN2CC3=CC=CS3)[NH+]4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H28N6O2S/c1-19-4-7-21(8-5-19)25(26-27-28-29-32(26)17-22-3-2-14-35-22)31-12-10-30(11-13-31)16-20-6-9-23-24(15-20)34-18-33-23/h2-9,14-15,25H,10-13,16-18H2,1H3/p+2/t25-/m1/s1