[4-(2-phenoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [4-(2-phenoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-(2-phenoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-(2-phenoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-(2-phenoxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-(2-phenoxyethyl)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]methanol Formula: C24H34NO5+ MolecularWeight: 416.53046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C24H33NO5/c1-27-21-15-19(16-22(28-2)23(21)29-3)17-25-12-9-24(18-26,10-13-25)11-14-30-20-7-5-4-6-8-20/h4-8,15-16,26H,9-14,17-18H2,1-3H3/p+1