1-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenyltetrazol-5-yl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenyl-5-tetrazolyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenyltetrazol-5-yl)piperazin-1-ium Traditional Name: 1-(1-phenyltetrazol-5-yl)-4-piperonyl-piperazin-4-ium Formula: C19H21N6O2+ MolecularWeight: 365.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C19H20N6O2/c1-2-4-16(5-3-1)25-19(20-21-22-25)24-10-8-23(9-11-24)13-15-6-7-17-18(12-15)27-14-26-17/h1-7,12H,8-11,13-14H2/p+1