(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]methanone Formula: C21H24BrClFN2O3+ MolecularWeight: 486.782263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F)OC

InChI

InChI=1S/C21H23BrClFN2O3/c1-3-29-20-16(22)11-14(12-19(20)28-2)21(27)26-9-7-25(8-10-26)13-15-17(23)5-4-6-18(15)24/h4-6,11-12H,3,7-10,13H2,1-2H3/p+1