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

Systemtic Name: [(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-3-yl]methanol Formula: C16H26NO4+ MolecularWeight: 296.38194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCCC(C2)CO)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC[C@@H](C2)CO)OC)OC

InChI

InChI=1S/C16H25NO4/c1-19-14-7-6-13(15(20-2)16(14)21-3)10-17-8-4-5-12(9-17)11-18/h6-7,12,18H,4-5,8-11H2,1-3H3/p+1/t12-/m0/s1