5-oxidanylidene-4-(phenylsulfonyl)-1-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-ium-1-carboxylic acid

Systemtic Name: 5-oxidanylidene-4-(phenylsulfonyl)-1-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-ium-1-carboxylic acid Openeye Name: 1-allyl-4-(benzenesulfonyl)-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-ium-1-carboxylic acid CAS Name: 4-(benzenesulfonyl)-5-oxo-1-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-ium-1-carboxylic acid IUPAC Name: 4-(benzenesulfonyl)-5-oxo-1-prop-2-enyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-ium-1-carboxylic acid Traditional Name: 1-allyl-4-besyl-5-keto-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-ium-1-carboxylic acid Formula: C16H19N2O5S+ MolecularWeight: 351.39746

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CCC2C1CC(=O)N2S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=CC[N+]1(CCC2C1CC(=O)N2S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-2-9-18(16(20)21)10-8-13-14(18)11-15(19)17(13)24(22,23)12-6-4-3-5-7-12/h2-7,13-14H,1,8-11H2/p+1