ethyl (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H30NO6+ MolecularWeight: 380.4553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC3=C(C(=C2)OC)OCO3)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC3=C(C(=C2)OC)OCO3)CCOC

InChI

InChI=1S/C20H29NO6/c1-4-25-19(22)20(7-9-23-2)6-5-8-21(13-20)12-15-10-16(24-3)18-17(11-15)26-14-27-18/h10-11H,4-9,12-14H2,1-3H3/p+1/t20-/m0/s1