(5-bromanyl-2-oxidanyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H21BrN2O3/c20-15-6-7-18(23)17(14-15)19(24)22-10-8-21(9-11-22)12-13-25-16-4-2-1-3-5-16/h1-7,14,23H,8-13H2/p+1