1-[(2S)-3-(phenylsulfonyl)-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium

Systemtic Name: 1-[(2S)-3-(phenylsulfonyl)-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium Openeye Name: 1-[(2S)-3-(benzenesulfonyl)-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-(1-piperidin-1-iumyl)propyl]piperidin-1-ium IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-piperidin-1-ium-1-ylpropyl]piperidin-1-ium Traditional Name: 1-[(2S)-3-besyl-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium Formula: C19H32N2O2S+2 MolecularWeight: 352.53458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CS(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](CS(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C19H30N2O2S/c22-24(23,19-10-4-1-5-11-19)17-18(21-14-8-3-9-15-21)16-20-12-6-2-7-13-20/h1,4-5,10-11,18H,2-3,6-9,12-17H2/p+2/t18-/m0/s1