4-bromanyl-3-methyl-N-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-3-methyl-N-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzenesulfonamide Openeye Name: N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-bromo-3-methyl-benzenesulfonamide CAS Name: 4-bromo-3-methyl-N-[[(2R)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-bromo-3-methylbenzenesulfonamide Traditional Name: N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-bromo-3-methyl-benzenesulfonamide Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2C[NH+](CCO2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C19H23BrN2O3S/c1-15-11-18(7-8-19(15)20)26(23,24)21-12-17-14-22(9-10-25-17)13-16-5-3-2-4-6-16/h2-8,11,17,21H,9-10,12-14H2,1H3/p+1/t17-/m0/s1