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

Systemtic Name: 1-[1-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzotriazole Openeye Name: 1-[1-[(1-phenethyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzotriazole CAS Name: 1-[1-[(1-phenethyl-5-tetrazolyl)methyl]-4-piperidin-1-iumyl]benzotriazole IUPAC Name: 1-[1-[(1-phenethyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzotriazole Traditional Name: 1-[1-[(1-phenethyltetrazol-5-yl)methyl]piperidin-1-ium-4-yl]benzotriazole Formula: C21H25N8+ MolecularWeight: 389.4768

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC4=NN=NN4CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3N=N2)CC4=NN=NN4CCC5=CC=CC=C5

InChI

InChI=1S/C21H24N8/c1-2-6-17(7-3-1)10-15-28-21(23-24-26-28)16-27-13-11-18(12-14-27)29-20-9-5-4-8-19(20)22-25-29/h1-9,18H,10-16H2/p+1