1-(2-hydroxyethyl)-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-1-ium-4-one

Systemtic Name: 1-(2-hydroxyethyl)-2-[1-(phenylsulfonyl)indol-2-yl]piperidin-1-ium-4-one Openeye Name: 2-[1-(benzenesulfonyl)indol-2-yl]-1-(2-hydroxyethyl)piperidin-1-ium-4-one CAS Name: 2-[1-(benzenesulfonyl)-2-indolyl]-1-(2-hydroxyethyl)-4-piperidin-1-iumone IUPAC Name: 2-[1-(benzenesulfonyl)indol-2-yl]-1-(2-hydroxyethyl)piperidin-1-ium-4-one Traditional Name: 2-(1-besylindol-2-yl)-1-(2-hydroxyethyl)piperidin-1-ium-4-one Formula: C21H23N2O4S+ MolecularWeight: 399.48332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(CC1=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)CCO

Isomeric SMILES

C1C[NH+](C(CC1=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)CCO

InChI

InChI=1S/C21H22N2O4S/c24-13-12-22-11-10-17(25)15-20(22)21-14-16-6-4-5-9-19(16)23(21)28(26,27)18-7-2-1-3-8-18/h1-9,14,20,24H,10-13,15H2/p+1