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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(1-phenethyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C22H29N6+ MolecularWeight: 377.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=NN=NN3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=NN=NN3CCC4=CC=CC=C4

InChI

InChI=1S/C22H28N6/c1-18-8-9-19(2)21(16-18)27-14-12-26(13-15-27)17-22-23-24-25-28(22)11-10-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3/p+1