ethyl 1-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H34NO5+ MolecularWeight: 392.50906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(C)CC2=CC3=C(C=C2)OCO3)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C[C@H](C)CC2=CC3=C(C=C2)OCO3)CCOC

InChI

InChI=1S/C22H33NO5/c1-4-26-21(24)22(9-12-25-3)7-10-23(11-8-22)15-17(2)13-18-5-6-19-20(14-18)28-16-27-19/h5-6,14,17H,4,7-13,15-16H2,1-3H3/p+1/t17-/m1/s1