6-oxidanylidene-4-[(phenylmethyl)carbamoyl]-4-aza-7-azoniabicyclo[3.2.0]heptane-7,7-disulfonic acid

Systemtic Name: 6-oxidanylidene-4-[(phenylmethyl)carbamoyl]-4-aza-7-azoniabicyclo[3.2.0]heptane-7,7-disulfonic acid Openeye Name: 4-(benzylcarbamoyl)-6-oxo-4-aza-7-azoniabicyclo[3.2.0]heptane-7,7-disulfonic acid CAS Name: 6-oxo-4-[oxo-[(phenylmethyl)amino]methyl]-4-aza-7-azoniabicyclo[3.2.0]heptane-7,7-disulfonic acid IUPAC Name: 4-(benzylcarbamoyl)-6-oxo-4-aza-7-azoniabicyclo[3.2.0]heptane-7,7-disulfonic acid Traditional Name: 4-(benzylcarbamoyl)-6-keto-4-aza-7-azoniabicyclo[3.2.0]heptane-7,7-disulfonic acid Formula: C13H16N3O8S2+ MolecularWeight: 406.41144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1[N+](C2=O)(S(=O)(=O)O)S(=O)(=O)O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(C2C1[N+](C2=O)(S(=O)(=O)O)S(=O)(=O)O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C13H15N3O8S2/c17-12-11-10(16(12,25(19,20)21)26(22,23)24)6-7-15(11)13(18)14-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H2-,14,18,19,20,21,22,23,24)/p+1