1-tert-butyl-4-sulfonyl-1,4-diazepan-4-ium-5-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC([N+](=S(=O)=O)CC1)C(=O)O

Isomeric SMILES

CC(C)(C)N1CCC([N+](=S(=O)=O)CC1)C(=O)O

InChI

InChI=1S/C10H18N2O4S/c1-10(2,3)11-5-4-8(9(13)14)12(7-6-11)17(15)16/h8H,4-7H2,1-3H3/p+1