7-azanyl-3-[(E)-3-[4-(4-morpholin-4-ylbutyl)morpholin-4-ium-4-yl]prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[(E)-3-[4-(4-morpholin-4-ylbutyl)morpholin-4-ium-4-yl]prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(E)-3-[4-(4-morpholinobutyl)morpholin-4-ium-4-yl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(E)-3-[4-[4-(4-morpholinyl)butyl]-4-morpholin-4-iumyl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(E)-3-[4-(4-morpholin-4-ylbutyl)morpholin-4-ium-4-yl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(E)-3-[4-(4-morpholinobutyl)morpholin-4-ium-4-yl]prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H35N4O5S+ MolecularWeight: 467.6021

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC[N+]2(CCOCC2)CC=CC3=C(N4C(C(C4=O)N)SC3)C(=O)O

Isomeric SMILES

C1COCCN1CCCC[N+]2(CCOCC2)C/C=C/C3=C(N4C(C(C4=O)N)SC3)C(=O)O

InChI

InChI=1S/C22H34N4O5S/c23-18-20(27)25-19(22(28)29)17(16-32-21(18)25)4-3-9-26(10-14-31-15-11-26)8-2-1-5-24-6-12-30-13-7-24/h3-4,18,21H,1-2,5-16,23H2/p+1/b4-3+