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

Systemtic Name: 3-phenyl-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-phenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-phenyl-1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-phenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-phenyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c28-21(12-11-18-7-3-1-4-8-18)26-15-13-25(14-16-26)17-20-22-23-24-27(20)19-9-5-2-6-10-19/h1-10H,11-17H2/p+1