1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)-5-tetrazolyl]butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[(1R)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-ethyl-4-[(1R)-1-(1-piperonyltetrazol-5-yl)butyl]piperazine-1,4-diium Formula: C19H30N6O2+2 MolecularWeight: 374.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O2/c1-3-5-16(24-10-8-23(4-2)9-11-24)19-20-21-22-25(19)13-15-6-7-17-18(12-15)27-14-26-17/h6-7,12,16H,3-5,8-11,13-14H2,1-2H3/p+2/t16-/m1/s1