3-(1,1-dimethyl-4-pyrrolidin-1-ium-1-yl-pyrrolidin-1-ium-3-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(1,1-dimethyl-4-pyrrolidin-1-ium-1-yl-pyrrolidin-1-ium-3-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(1,1-dimethyl-4-pyrrolidin-1-ium-1-yl-pyrrolidin-1-ium-3-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[1,1-dimethyl-4-(1-pyrrolidin-1-iumyl)-3-pyrrolidin-1-iumyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(1,1-dimethyl-4-pyrrolidin-1-ium-1-ylpyrrolidin-1-ium-3-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(1,1-dimethyl-4-pyrrolidin-1-ium-1-yl-pyrrolidin-1-ium-3-yl)thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C(C1)SC2=C(N3C(C2)CC3=O)C(=O)[O-])[NH+]4CCCC4)C

Isomeric SMILES

C[N+]1(CC(C(C1)SC2=C(N3C(C2)CC3=O)C(=O)[O-])[NH+]4CCCC4)C

InChI

InChI=1S/C17H25N3O3S/c1-20(2)9-12(18-5-3-4-6-18)14(10-20)24-13-7-11-8-15(21)19(11)16(13)17(22)23/h11-12,14H,3-10H2,1-2H3/p+1