(6S)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; quinolin-1-ium-7-amine

Systemtic Name: (6S)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; quinolin-1-ium-7-amine Openeye Name: (6S)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; quinolin-1-ium-7-amine CAS Name: (6S)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 7-quinolin-1-iumamine IUPAC Name: (6S)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; quinolin-1-ium-7-amine Traditional Name: (6S)-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; quinolin-1-ium-7-ylamine Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].C1=CC2=C(C=C(C=C2)N)[NH+]=C1

Isomeric SMILES

CC1[C@H]2N(C1=O)C(=CCS2)C(=O)[O-].C1=CC2=C(C=C(C=C2)N)[NH+]=C1

InChI

InChI=1S/C9H8N2.C8H9NO3S/c10-8-4-3-7-2-1-5-11-9(7)6-8;1-4-6(10)9-5(8(11)12)2-3-13-7(4)9/h1-6H,10H2;2,4,7H,3H2,1H3,(H,11,12)/t;4?,7-/m.0/s1