2-ethoxy-6-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[4-methylol-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C24H34NO3+ MolecularWeight: 384.53166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C24H33NO3/c1-2-28-22-12-6-11-21(23(22)27)18-25-16-14-24(19-26,15-17-25)13-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-12,26-27H,2,7,10,13-19H2,1H3/p+1