4-[(2S)-butan-2-yl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-[(2S)-butan-2-yl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 4-[(1S)-1-methylpropyl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 4-[(1S)-1-methylpropyl]-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H30N2O3S/c1-3-18(2)21-8-10-22(11-9-21)28(25,26)23-16-19-4-6-20(7-5-19)17-24-12-14-27-15-13-24/h4-11,18,23H,3,12-17H2,1-2H3/p+1/t18-/m0/s1