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

Systemtic Name: 2-methyl-4-[[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-methyl-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-methyl-4-[[4-(1-phenyl-5-tetrazolyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-methyl-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-methyl-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C16H20N7S+ MolecularWeight: 342.4419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C16H19N7S/c1-13-17-14(12-24-13)11-21-7-9-22(10-8-21)16-18-19-20-23(16)15-5-3-2-4-6-15/h2-6,12H,7-11H2,1H3/p+1