(5-bromanyl-2,3,4-trimethyl-phenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2,3,4-trimethyl-phenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2,3,4-trimethyl-phenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2,3,4-trimethylphenyl)-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-2,3,4-trimethylphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2,3,4-trimethyl-phenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C16H24BrN2O2+ MolecularWeight: 356.27796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C)Br)C(=O)N2CC[NH+](CC2)CCO)C

Isomeric SMILES

CC1=C(C(=CC(=C1C)Br)C(=O)N2CC[NH+](CC2)CCO)C

InChI

InChI=1S/C16H23BrN2O2/c1-11-12(2)14(10-15(17)13(11)3)16(21)19-6-4-18(5-7-19)8-9-20/h10,20H,4-9H2,1-3H3/p+1