5-azanyl-4-(cyclopropylmethylsulfonyl)-2-methyl-1-methylidene-6-oxidanylidene-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 5-azanyl-4-(cyclopropylmethylsulfonyl)-2-methyl-1-methylidene-6-oxidanylidene-pyridin-1-ium-3-carboxylic acid Openeye Name: 5-amino-4-(cyclopropylmethylsulfonyl)-2-methyl-1-methylene-6-oxo-pyridin-1-ium-3-carboxylic acid CAS Name: 5-amino-4-(cyclopropylmethylsulfonyl)-2-methyl-1-methylene-6-oxo-3-pyridin-1-iumcarboxylic acid IUPAC Name: 5-amino-4-(cyclopropylmethylsulfonyl)-2-methyl-1-methylidene-6-oxopyridin-1-ium-3-carboxylic acid Traditional Name: 5-amino-4-(cyclopropylmethylsulfonyl)-6-keto-2-methyl-1-methylene-pyridin-1-ium-3-carboxylic acid Formula: C12H15N2O5S+ MolecularWeight: 299.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)[N+]1=C)N)S(=O)(=O)CC2CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=O)[N+]1=C)N)S(=O)(=O)CC2CC2)C(=O)O

InChI

InChI=1S/C12H14N2O5S/c1-6-8(12(16)17)10(9(13)11(15)14(6)2)20(18,19)5-7-3-4-7/h7H,2-5,13H2,1H3/p+1