N-(4-acetamido-2-methoxy-5-oxidanyl-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide

Systemtic Name: N-(4-acetamido-2-methoxy-5-oxidanyl-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Openeye Name: N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide CAS Name: N-(4-acetamido-5-hydroxy-2-methoxyphenyl)-1,1,4-trimethyl-2-piperazin-1-iumcarboxamide IUPAC Name: N-(4-acetamido-5-hydroxy-2-methoxyphenyl)-1,1,4-trimethylpiperazin-1-ium-2-carboxamide Traditional Name: N-(4-acetamido-5-hydroxy-2-methoxy-phenyl)-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Formula: C17H27N4O4+ MolecularWeight: 351.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4/c1-11(22)18-12-9-16(25-5)13(8-15(12)23)19-17(24)14-10-20(2)6-7-21(14,3)4/h8-9,14H,6-7,10H2,1-5H3,(H2-,18,19,22,23,24)/p+1