ethyl 4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H22BrN2O4+ MolecularWeight: 386.26088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C16H21BrN2O4/c1-2-21-16(20)19-5-3-18(4-6-19)11-12-9-14-15(10-13(12)17)23-8-7-22-14/h9-10H,2-8,11H2,1H3/p+1