(2,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxyethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxyethyl)piperidin-1-ium-3-yl]methanone Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2CCC[NH+](C2)CCO)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-20-13-5-6-14(15(10-13)21-2)16(19)12-4-3-7-17(11-12)8-9-18/h5-6,10,12,18H,3-4,7-9,11H2,1-2H3/p+1/t12-/m0/s1