N-(4-bromophenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C17H23BrN3O3+ MolecularWeight: 397.28682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@@H](OC1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H22BrN3O3/c18-13-3-5-14(6-4-13)19-16(22)12-20-7-9-21(10-8-20)17(23)15-2-1-11-24-15/h3-6,15H,1-2,7-12H2,(H,19,22)/p+1/t15-/m1/s1