[1-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C24H32NO3+ MolecularWeight: 382.51578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@@H](C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H31NO3/c1-18(2)22-10-6-7-11-23(22)28-17-21(26)16-25-14-12-20(13-15-25)24(27)19-8-4-3-5-9-19/h3-11,18,20-21,26H,12-17H2,1-2H3/p+1/t21-/m1/s1