(1S,8R)-8-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-piperidin-1-ium-1-yl]prop-1-enyl]-7-oxidanylidene-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate

Systemtic Name: (1S,8R)-8-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-piperidin-1-ium-1-yl]prop-1-enyl]-7-oxidanylidene-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate Openeye Name: (1S,8R)-8-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-piperidin-1-ium-1-yl]prop-1-enyl]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate CAS Name: (1S,8R)-8-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methyl-1-piperidin-1-iumyl]prop-1-enyl]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate IUPAC Name: (1S,8R)-8-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-[(E)-3-[2-(hydroxymethyl)-1-methylpiperidin-1-ium-1-yl]prop-1-enyl]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate Traditional Name: (1S,8R)-8-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-7-keto-4-[(E)-3-(1-methyl-2-methylol-piperidin-1-ium-1-yl)prop-1-enyl]-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylate Formula: C24H31N5O6S2 MolecularWeight: 549.66284

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1CO)CC=CC2=C(C3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1CO)C/C=C/C2=C(C3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-]

InChI

InChI=1S/C24H31N5O6S2/c1-29(8-4-3-7-14(29)10-30)9-5-6-13-11-36-21-17(16(13)23(33)34)20(31)19(21)27-22(32)18(28-35-2)15-12-37-24(25)26-15/h5-6,12,14,17,19,21,30H,3-4,7-11H2,1-2H3,(H3-,25,26,27,32,33,34)/b6-5+,28-18-/t14?,17?,19-,21+,29?/m1/s1