ethyl 1-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H24BrN2O5+ MolecularWeight: 428.29756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H23BrN2O5/c1-2-24-18(23)12-3-5-21(6-4-12)11-17(22)20-14-10-16-15(9-13(14)19)25-7-8-26-16/h9-10,12H,2-8,11H2,1H3,(H,20,22)/p+1