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

Systemtic Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-2-methyl-propyl]-4-phenyl-piperazine-1,4-diium Openeye Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]-2-methyl-propyl]-4-phenyl-piperazine-1,4-diium CAS Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]-2-methylpropyl]-4-phenylpiperazine-1,4-diium IUPAC Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine-1,4-diium Traditional Name: 1-[(1R)-2-methyl-1-(1-piperonyltetrazol-5-yl)propyl]-4-phenyl-piperazine-1,4-diium Formula: C23H30N6O2+2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=NN1CC2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)[C@H](C1=NN=NN1CC2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H28N6O2/c1-17(2)22(28-12-10-27(11-13-28)19-6-4-3-5-7-19)23-24-25-26-29(23)15-18-8-9-20-21(14-18)31-16-30-20/h3-9,14,17,22H,10-13,15-16H2,1-2H3/p+2/t22-/m1/s1