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

Systemtic Name: 2-[4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(1-tert-butyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(1-tert-butyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(1-tert-butyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[(1-tert-butyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C17H24N7S+ MolecularWeight: 358.48436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H23N7S/c1-17(2,3)24-15(19-20-21-24)12-22-8-10-23(11-9-22)16-18-13-6-4-5-7-14(13)25-16/h4-7H,8-12H2,1-3H3/p+1