4-[3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C18H29N2O3S+ MolecularWeight: 353.49946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H28N2O3S/c1-15-10-16(2)13-19(12-15)14-17-4-3-5-18(11-17)24(21,22)20-6-8-23-9-7-20/h3-5,11,15-16H,6-10,12-14H2,1-2H3/p+1/t15-,16+