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

Systemtic Name: 2-methyl-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C16H23N6O+ MolecularWeight: 315.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O/c1-13(2)16(23)21-10-8-20(9-11-21)12-15-17-18-19-22(15)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3/p+1