(3S,7R)-7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-azepan-3-ol

Systemtic Name: (3S,7R)-7-methyl-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-azepan-3-ol Openeye Name: (3S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-3-ol CAS Name: (3S,7R)-7-methyl-1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-azepanol IUPAC Name: (3S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonylazepan-3-ol Traditional Name: (3S,7R)-7-methyl-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-3-ol Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])O

Isomeric SMILES

C[C@@H]1CCC[C@@H](CN1S(=O)(=O)C2=CC=CC=[N+]2[O-])O

InChI

InChI=1S/C12H18N2O4S/c1-10-5-4-6-11(15)9-14(10)19(17,18)12-7-2-3-8-13(12)16/h2-3,7-8,10-11,15H,4-6,9H2,1H3/t10-,11+/m1/s1