(2S)-1-piperidin-1-ium-1-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-[(3,4,5-trimethoxyphenyl)methoxy]-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-(3,4,5-trimethoxybenzyl)oxy-propan-2-ol Formula: C18H30NO5+ MolecularWeight: 340.4345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COCC(C[NH+]2CCCCC2)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C18H29NO5/c1-21-16-9-14(10-17(22-2)18(16)23-3)12-24-13-15(20)11-19-7-5-4-6-8-19/h9-10,15,20H,4-8,11-13H2,1-3H3/p+1/t15-/m0/s1