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

Systemtic Name: [4-(3-phenylpropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-(3-phenylpropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-(3-phenylpropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-(3-phenylpropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-(3-phenylpropyl)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]methanol Formula: C25H36NO4+ MolecularWeight: 414.55764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C25H35NO4/c1-28-22-16-21(17-23(29-2)24(22)30-3)18-26-14-12-25(19-27,13-15-26)11-7-10-20-8-5-4-6-9-20/h4-6,8-9,16-17,27H,7,10-15,18-19H2,1-3H3/p+1