6-[[2-azido-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrapropylazanium

Systemtic Name: 6-[[2-azido-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrapropylazanium Openeye Name: 6-[[2-azido-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrapropylammonium CAS Name: 6-[[2-azido-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrapropylammonium IUPAC Name: 6-[[2-azido-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrapropylazanium Traditional Name: 6-[[2-azido-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrapropylammonium Formula: C28H44N6O5S MolecularWeight: 576.75116

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CCC.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N=[N+]=[N-])C(=O)[O-])C

Isomeric SMILES

CCC[N+](CCC)(CCC)CCC.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N=[N+]=[N-])C(=O)[O-])C

InChI

InChI=1S/C16H17N5O5S.C12H28N/c1-16(2)11(15(25)26)21-13(24)10(14(21)27-16)18-12(23)9(19-20-17)7-3-5-8(22)6-4-7;1-5-9-13(10-6-2,11-7-3)12-8-4/h3-6,9-11,14,22H,1-2H3,(H,18,23)(H,25,26);5-12H2,1-4H3/q;+1/p-1