ethyl 4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H22BrN2O3+ MolecularWeight: 358.25078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C15H21BrN2O3/c1-3-21-15(19)18-8-6-17(7-9-18)11-12-4-5-14(20-2)13(16)10-12/h4-5,10H,3,6-9,11H2,1-2H3/p+1