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

Systemtic Name: 2-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(1-phenyl-5-tetrazolyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H20N7S+ MolecularWeight: 378.474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C19H19N7S/c1-2-6-15(7-3-1)26-19(21-22-23-26)25-12-10-24(11-13-25)14-18-20-16-8-4-5-9-17(16)27-18/h1-9H,10-14H2/p+1