tert-butyl 4-sulfonyl-1,4-diazepan-4-ium-5-carboxylate

Systemtic Name: tert-butyl 4-sulfonyl-1,4-diazepan-4-ium-5-carboxylate Openeye Name: tert-butyl 4-sulfonyl-1,4-diazepan-4-ium-5-carboxylate CAS Name: 4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-sulfonyl-1,4-diazepan-4-ium-5-carboxylate Traditional Name: 4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid tert-butyl ester Formula: C10H19N2O4S+ MolecularWeight: 263.33386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCNCC[N+]1=S(=O)=O

Isomeric SMILES

CC(C)(C)OC(=O)C1CCNCC[N+]1=S(=O)=O

InChI

InChI=1S/C10H19N2O4S/c1-10(2,3)16-9(13)8-4-5-11-6-7-12(8)17(14)15/h8,11H,4-7H2,1-3H3/q+1