ethyl (3R)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]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)CCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O5/c1-2-23-18(22)13-4-3-8-20(11-13)9-7-17(21)19-14-5-6-15-16(10-14)25-12-24-15/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H,19,21)/p+1/t13-/m1/s1