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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-[(1-phenethyl-5-tetrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C21H26ClN6+ MolecularWeight: 397.92434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN6/c1-17-7-8-19(22)15-20(17)27-13-11-26(12-14-27)16-21-23-24-25-28(21)10-9-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3/p+1