1-[1-(morpholin-4-ylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name: 1-[1-(morpholin-4-ylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 1-[1-(morpholinocarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 1-[1-[(4-morpholinylamino)-oxomethyl]-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 1-[1-(morpholin-4-ylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 1-[1-(morpholinocarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid Formula: C12H18N3O5S+ MolecularWeight: 316.35342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=[N+](C=C1)C(=O)NN2CCOCC2)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC=[N+](C=C1)C(=O)NN2CCOCC2)S(=O)(=O)O

InChI

InChI=1S/C12H17N3O5S/c1-10(21(17,18)19)11-2-4-14(5-3-11)12(16)13-15-6-8-20-9-7-15/h2-5,10H,6-9H2,1H3,(H-,13,16,17,18,19)/p+1