1-carbamimidoyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 1-carbamimidoyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 1-carbamimidoyl-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 1-carbamimidoyl-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 1-carbamimidoyl-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 1-amidino-7-keto-3,3-dimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C9H14N3O3S+ MolecularWeight: 244.29076

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+]2(C(S1)CC2=O)C(=N)N)C(=O)O)C

Isomeric SMILES

CC1(C([N+]2(C(S1)CC2=O)C(=N)N)C(=O)O)C

InChI

InChI=1S/C9H13N3O3S/c1-9(2)6(7(14)15)12(8(10)11)4(13)3-5(12)16-9/h5-6H,3H2,1-2H3,(H3-,10,11,14,15)/p+1