ethyl 4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-bromophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-bromophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-bromobenzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H20BrN2O2+ MolecularWeight: 328.2248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2Br

InChI

InChI=1S/C14H19BrN2O2/c1-2-19-14(18)17-9-7-16(8-10-17)11-12-5-3-4-6-13(12)15/h3-6H,2,7-11H2,1H3/p+1