6-chloranyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; (phenylmethyl)azanium

Systemtic Name: 6-chloranyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; (phenylmethyl)azanium Openeye Name: benzylammonium; 6-chloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-chloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 6-chloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: benzylammonium; 6-chloro-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C15H19ClN2O3S MolecularWeight: 342.84096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)Cl)C(=O)[O-])C.C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)Cl)C(=O)[O-])C.C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C8H10ClNO3S.C7H9N/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8;8-6-7-4-2-1-3-5-7/h3-4,6H,1-2H3,(H,12,13);1-5H,6,8H2