N-(4-acetamido-3-oxidanyl-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide

Systemtic Name: N-(4-acetamido-3-oxidanyl-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Openeye Name: N-(4-acetamido-3-hydroxy-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide CAS Name: N-(4-acetamido-3-hydroxyphenyl)-1,1,4-trimethyl-2-piperazin-1-iumcarboxamide IUPAC Name: N-(4-acetamido-3-hydroxyphenyl)-1,1,4-trimethylpiperazin-1-ium-2-carboxamide Traditional Name: N-(4-acetamido-3-hydroxy-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CN(CC[N+]2(C)C)C)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CN(CC[N+]2(C)C)C)O

InChI

InChI=1S/C16H24N4O3/c1-11(21)17-13-6-5-12(9-15(13)22)18-16(23)14-10-19(2)7-8-20(14,3)4/h5-6,9,14H,7-8,10H2,1-4H3,(H2-,17,18,21,22,23)/p+1