ethyl 4-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(5-bromo-2,4-dimethoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5-bromo-2,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(5-bromo-2,4-dimethoxy-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24BrN2O4+ MolecularWeight: 388.27676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)Br

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)Br

InChI

InChI=1S/C16H23BrN2O4/c1-4-23-16(20)19-7-5-18(6-8-19)11-12-9-13(17)15(22-3)10-14(12)21-2/h9-10H,4-8,11H2,1-3H3/p+1