7-azanyl-8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: 7-amino-8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-8-oxo-3-[(E)-3-(1-pyridin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride IUPAC Name: 7-amino-8-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])C=CC[N+]3=CC=CC=C3.Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])/C=C/C[N+]3=CC=CC=C3.Cl

InChI

InChI=1S/C15H15N3O3S.ClH/c16-11-13(19)18-12(15(20)21)10(9-22-14(11)18)5-4-8-17-6-2-1-3-7-17;/h1-7,11,14H,8-9,16H2;1H/b5-4+;