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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(1-phenyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C20H24N6/c1-16-7-6-10-19(17(16)2)25-13-11-24(12-14-25)15-20-21-22-23-26(20)18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3/p+1