2-[3-azanyl-1,6-dimethyl-2-oxidanylidene-4-(phenylsulfonyl)pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-azanyl-1,6-dimethyl-2-oxidanylidene-4-(phenylsulfonyl)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-amino-4-(benzenesulfonyl)-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[3-amino-4-(benzenesulfonyl)-1,6-dimethyl-2-oxo-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[3-amino-4-(benzenesulfonyl)-1,6-dimethyl-2-oxopyridin-1-ium-1-yl]acetic acid Traditional Name: 2-(3-amino-4-besyl-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl)acetic acid Formula: C15H17N2O5S+ MolecularWeight: 337.37088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O5S/c1-10-8-12(23(21,22)11-6-4-3-5-7-11)14(16)15(20)17(10,2)9-13(18)19/h3-8H,9,16H2,1-2H3/p+1