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

Systemtic Name: 1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C15H21N6O+ MolecularWeight: 301.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O/c1-2-15(22)20-10-8-19(9-11-20)12-14-16-17-18-21(14)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1