ethyl 2-[3-[azanyl(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[3-[azanyl(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-[amino(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[[amino(methylsulfonyl)amino]-oxomethyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-[amino(methylsulfonyl)carbamoyl]pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-[amino(mesyl)carbamoyl]pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C11H16BrN3O5S MolecularWeight: 382.23084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)N(N)S(=O)(=O)C.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)N(N)S(=O)(=O)C.[Br-]

InChI

InChI=1S/C11H16N3O5S.BrH/c1-3-19-10(15)8-13-6-4-5-9(7-13)11(16)14(12)20(2,17)18;/h4-7H,3,8,12H2,1-2H3;1H/q+1;/p-1