(2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S)-2-methyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-[(2,5-dimethoxyphenyl)methoxy]-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(2,5-dimethoxybenzyl)oxy-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propan-2-ol Formula: C18H30NO4+ MolecularWeight: 324.4351

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(COCC2=C(C=CC(=C2)OC)OC)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1C[C@H](COCC2=C(C=CC(=C2)OC)OC)O

InChI

InChI=1S/C18H29NO4/c1-14-6-4-5-9-19(14)11-16(20)13-23-12-15-10-17(21-2)7-8-18(15)22-3/h7-8,10,14,16,20H,4-6,9,11-13H2,1-3H3/p+1/t14-,16+/m0/s1