7-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(E)-3-(1-methyl-1-pyrrolidin-1-iumyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(E)-3-(1-methylpyrrolidin-1-ium-1-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC=CC2C3N(C2=O)C(=CCS3)C(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)C/C=C/C2C3N(C2=O)C(=CCS3)C(=O)[O-]

InChI

InChI=1S/C15H20N2O3S/c1-17(7-2-3-8-17)9-4-5-11-13(18)16-12(15(19)20)6-10-21-14(11)16/h4-6,11,14H,2-3,7-10H2,1H3/b5-4+