4-methyl-N-naphthalen-1-yl-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-naphthalen-1-yl-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-N-(1-naphthyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-4-methyl-N-(1-naphthalenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-N-(1-naphthyl)benzenesulfonamide Formula: C25H31N2O3S+ MolecularWeight: 439.59024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C[NH+]2CCCCC2)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N2O3S/c1-20-12-14-23(15-13-20)31(29,30)27(19-22(28)18-26-16-5-2-6-17-26)25-11-7-9-21-8-3-4-10-24(21)25/h3-4,7-15,22,28H,2,5-6,16-19H2,1H3/p+1/t22-/m0/s1