[(2S)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(5-bromo-2-hydroxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(5-bromo-2-hydroxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(5-bromo-2-hydroxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(5-bromo-2-hydroxy-phenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C14H24BrN3O+2 MolecularWeight: 330.26386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C[NH3+])C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C[NH3+])C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H22BrN3O/c1-2-17-5-7-18(8-6-17)13(10-16)12-9-11(15)3-4-14(12)19/h3-4,9,13,19H,2,5-8,10,16H2,1H3/p+2/t13-/m1/s1