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

Systemtic Name: 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 4-methoxy-2-[[4-methylol-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C23H32NO3+ MolecularWeight: 370.50508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C23H31NO3/c1-27-21-9-10-22(26)20(16-21)17-24-14-12-23(18-25,13-15-24)11-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,25-26H,5,8,11-15,17-18H2,1H3/p+1