N-[(2R)-2,3-bis(oxidanyl)propyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(2R)-2,3-bis(oxidanyl)propyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(2R)-2,3-dihydroxypropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(2R)-2,3-dihydroxypropyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(2R)-2,3-dihydroxypropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(2R)-2,3-dihydroxypropyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC(CO)O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NC[C@H](CO)O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c26-17-20(27)16-24-23(28)19-6-8-21(9-7-19)29-22-11-14-25(15-12-22)13-10-18-4-2-1-3-5-18/h1-9,20,22,26-27H,10-17H2,(H,24,28)/p+1/t20-/m1/s1