5-(4-bromophenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-phenylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]isoxazole-3-carboxamide Formula: C24H28BrN4O2+ MolecularWeight: 484.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H27BrN4O2/c1-2-28-12-14-29(15-13-28)22(18-6-4-3-5-7-18)17-26-24(30)21-16-23(31-27-21)19-8-10-20(25)11-9-19/h3-11,16,22H,2,12-15,17H2,1H3,(H,26,30)/p+1/t22-/m1/s1