(diphenylmethyl) 7-azanyl-1-ethenyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: (diphenylmethyl) 7-azanyl-1-ethenyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: benzhydryl 7-amino-8-oxo-1-vinyl-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-1-ethenyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester hydrochloride IUPAC Name: benzhydryl 7-amino-1-ethenyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-1-vinyl-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester hydrochloride Formula: C22H22ClN2O3S+ MolecularWeight: 429.93968

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Descriptors Computed from Structure

Canonical SMILES:

C=C[N+]12C(C(C1=O)N)SCC=C2C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C=C[N+]12C(C(C1=O)N)SCC=C2C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H21N2O3S.ClH/c1-2-24-17(13-14-28-21(24)18(23)20(24)25)22(26)27-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h2-13,18-19,21H,1,14,23H2;1H/q+1;