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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(5-phenyl-2-tetrazolyl)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O/c27-19(16-26-22-20(21-23-26)18-9-5-2-6-10-18)25-13-11-24(12-14-25)15-17-7-3-1-4-8-17/h1-10H,11-16H2/p+1