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

Systemtic Name: 1-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-1-ium CAS Name: 1-[(1-phenethyl-5-tetrazolyl)methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[(1-phenethyltetrazol-5-yl)methyl]piperazin-1-ium Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=NN=NN3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=NN=NN3CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N6/c1-3-7-19(8-4-1)11-12-27-21(22-23-24-27)18-26-15-13-25(14-16-26)17-20-9-5-2-6-10-20/h1-10H,11-18H2/p+1