(1S)-1-(4-methylsulfonylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine

Systemtic Name: (1S)-1-(4-methylsulfonylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine Openeye Name: (1S)-1-(4-methylsulfonylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine CAS Name: (1S)-1-(4-methylsulfonylphenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]ethanamine IUPAC Name: (1S)-1-(4-methylsulfonylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine Traditional Name: [(1S)-1-(4-mesylphenyl)ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C15H25N2O2S+ MolecularWeight: 297.4362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NCC[NH+]2CCCC2

InChI

InChI=1S/C15H24N2O2S/c1-13(16-9-12-17-10-3-4-11-17)14-5-7-15(8-6-14)20(2,18)19/h5-8,13,16H,3-4,9-12H2,1-2H3/p+1/t13-/m0/s1