ethyl 3-bromanyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: ethyl 3-bromo-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 3-bromo-4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 3-bromo-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoic acid ethyl ester Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CN2CC[NH+](CC2)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CN2CC[NH+](CC2)C)Br

InChI

InChI=1S/C15H21BrN2O2/c1-3-20-15(19)12-4-5-13(14(16)10-12)11-18-8-6-17(2)7-9-18/h4-5,10H,3,6-9,11H2,1-2H3/p+1