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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium Openeye Name: 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methyl-phenyl)piperazin-1-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-[[1-(phenylmethyl)-5-tetrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methyl-phenyl)piperazin-1-ium Formula: C20H24ClN6+ MolecularWeight: 383.89776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=NN=NN3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=NN=NN3CC4=CC=CC=C4

InChI

InChI=1S/C20H23ClN6/c1-16-7-8-18(21)13-19(16)26-11-9-25(10-12-26)15-20-22-23-24-27(20)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3/p+1