4-chloranyl-N-(2,6-dimethyl-2H-pyridin-1-ium-1-ylidene)benzenesulfonamide; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 4-chloranyl-N-(2,6-dimethyl-2H-pyridin-1-ium-1-ylidene)benzenesulfonamide; 2-(trimethylazaniumyl)ethanoate Openeye Name: 4-chloro-N-(2,6-dimethyl-2H-pyridin-1-ium-1-ylidene)benzenesulfonamide; 2-(trimethylammonio)acetate CAS Name: 4-chloro-N-(2,6-dimethyl-2H-pyridin-1-ium-1-ylidene)benzenesulfonamide; 2-(trimethylammonio)acetate IUPAC Name: 4-chloro-N-(2,6-dimethyl-2H-pyridin-1-ium-1-ylidene)benzenesulfonamide; 2-(trimethylazaniumyl)acetate Traditional Name: 4-chloro-N-(2,6-dimethyl-2H-pyridin-1-ium-1-ylidene)benzenesulfonamide; 2-(trimethylammonio)acetate Formula: C18H25ClN3O4S+ MolecularWeight: 414.9268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=C([N+]1=NS(=O)(=O)C2=CC=C(C=C2)Cl)C.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CC1C=CC=C([N+]1=NS(=O)(=O)C2=CC=C(C=C2)Cl)C.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C13H14ClN2O2S.C5H11NO2/c1-10-4-3-5-11(2)16(10)15-19(17,18)13-8-6-12(14)7-9-13;1-6(2,3)4-5(7)8/h3-10H,1-2H3;4H2,1-3H3/q+1;