1-phenyl-N-[[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: 1-phenyl-N-[[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: N-[[(3S)-1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: N-[[(3S)-1-(2-allyloxybenzyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C23H31N2O3S+ MolecularWeight: 415.56884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S/c1-2-15-28-23-13-7-6-12-22(23)18-25-14-8-11-21(17-25)16-24-29(26,27)19-20-9-4-3-5-10-20/h2-7,9-10,12-13,21,24H,1,8,11,14-19H2/p+1/t21-/m1/s1