(3S)-3-(3-azanyl-1H-isoindol-2-ium-2-yl)oxolan-2-one

Systemtic Name: (3S)-3-(3-azanyl-1H-isoindol-2-ium-2-yl)oxolan-2-one Openeye Name: (3S)-3-(3-amino-1H-isoindol-2-ium-2-yl)tetrahydrofuran-2-one CAS Name: (3S)-3-(3-amino-1H-isoindol-2-ium-2-yl)-2-oxolanone IUPAC Name: (3S)-3-(3-amino-1H-isoindol-2-ium-2-yl)oxolan-2-one Traditional Name: (3S)-3-(3-amino-1H-isoindol-2-ium-2-yl)tetrahydrofuran-2-one Formula: C12H13N2O2+ MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

C1COC(=O)[C@H]1[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C12H12N2O2/c13-11-9-4-2-1-3-8(9)7-14(11)10-5-6-16-12(10)15/h1-4,10,13H,5-7H2/p+1/t10-/m0/s1