4-ethenyl-7-oxidanylidene-6-[1-(1-pyrrolidin-1-ium-1-ylethyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 4-ethenyl-7-oxidanylidene-6-[1-(1-pyrrolidin-1-ium-1-ylethyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 7-oxo-6-[1-(1-pyrrolidin-1-ium-1-ylethyl)pyrrolidin-3-yl]sulfanyl-4-vinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 4-ethenyl-7-oxo-6-[[1-[1-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 4-ethenyl-7-oxo-6-[1-(1-pyrrolidin-1-ium-1-ylethyl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-6-[[1-(1-pyrrolidin-1-ium-1-ylethyl)pyrrolidin-3-yl]thio]-4-vinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC([NH+]1CCCC1)N2CCC(C2)SC3C4C(C=C(N4C3=O)C(=O)[O-])C=C

Isomeric SMILES

CC([NH+]1CCCC1)N2CCC(C2)SC3C4C(C=C(N4C3=O)C(=O)[O-])C=C

InChI

InChI=1S/C19H27N3O3S/c1-3-13-10-15(19(24)25)22-16(13)17(18(22)23)26-14-6-9-21(11-14)12(2)20-7-4-5-8-20/h3,10,12-14,16-17H,1,4-9,11H2,2H3,(H,24,25)