ethyl (3S)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27ClNO5+ MolecularWeight: 384.87438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3)CCOC

InChI

InChI=1S/C19H26ClNO5/c1-3-24-18(22)19(6-8-23-2)5-4-7-21(12-19)11-14-9-16-17(10-15(14)20)26-13-25-16/h9-10H,3-8,11-13H2,1-2H3/p+1/t19-/m0/s1