ethyl 1-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H26N2O5/c1-3-24-19(23)15-6-8-21(9-7-15)13(2)18(22)20-11-14-4-5-16-17(10-14)26-12-25-16/h4-5,10,13,15H,3,6-9,11-12H2,1-2H3,(H,20,22)/p+1/t13-/m1/s1