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

Systemtic Name: tert-butyl 4-[(4-propan-2-yl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-isopropyl-5-thioxo-tetrazol-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-propan-2-yl-5-sulfanylidene-1-tetrazolyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-propan-2-yl-5-sulfanylidenetetrazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-isopropyl-5-thioxo-tetrazol-1-yl)methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C14H27N6O2S+ MolecularWeight: 343.46818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=S)N(N=N1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C(=S)N(N=N1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H26N6O2S/c1-11(2)20-12(23)19(15-16-20)10-17-6-8-18(9-7-17)13(21)22-14(3,4)5/h11H,6-10H2,1-5H3/p+1