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

Systemtic Name: 4-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[[1-(4-chlorophenyl)-5-tetrazolyl]methyl]-N-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-phenethyl-piperazin-4-ium-1-carboxamide Formula: C21H25ClN7O+ MolecularWeight: 426.9225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H24ClN7O/c22-18-6-8-19(9-7-18)29-20(24-25-26-29)16-27-12-14-28(15-13-27)21(30)23-11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,30)/p+1