ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H24N2O5/c1-2-23-18(22)13-5-8-20(9-6-13)10-7-17(21)19-14-3-4-15-16(11-14)25-12-24-15/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,21)/p+1