2-ethoxy-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-ethoxy-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-ethoxy-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-ethoxy-1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-ethoxy-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-ethoxy-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOCC(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H22N6O2/c1-2-24-13-16(23)21-10-8-20(9-11-21)12-15-17-18-19-22(15)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3/p+1