ethyl (3S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(piperonylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O5/c1-2-23-18(22)14-4-3-7-20(10-14)11-17(21)19-9-13-5-6-15-16(8-13)25-12-24-15/h5-6,8,14H,2-4,7,9-12H2,1H3,(H,19,21)/p+1/t14-/m0/s1