N-(4-acetamidophenyl)-3,5-bis(chloranyl)-1,1,4-trimethyl-2-oxidanyl-piperazin-1-ium-2-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-3,5-bis(chloranyl)-1,1,4-trimethyl-2-oxidanyl-piperazin-1-ium-2-carboxamide Openeye Name: N-(4-acetamidophenyl)-3,5-dichloro-2-hydroxy-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide CAS Name: N-(4-acetamidophenyl)-3,5-dichloro-2-hydroxy-1,1,4-trimethyl-2-piperazin-1-iumcarboxamide IUPAC Name: N-(4-acetamidophenyl)-3,5-dichloro-2-hydroxy-1,1,4-trimethylpiperazin-1-ium-2-carboxamide Traditional Name: N-(4-acetamidophenyl)-3,5-dichloro-2-hydroxy-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Formula: C16H23Cl2N4O3+ MolecularWeight: 390.28482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2(C(N(C(C[N+]2(C)C)Cl)C)Cl)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2(C(N(C(C[N+]2(C)C)Cl)C)Cl)O

InChI

InChI=1S/C16H22Cl2N4O3/c1-10(23)19-11-5-7-12(8-6-11)20-15(24)16(25)14(18)21(2)13(17)9-22(16,3)4/h5-8,13-14,25H,9H2,1-4H3,(H-,19,20,23,24)/p+1