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

Systemtic Name: N-(4-acetamido-2-azanyl-phenyl)-1,1,4-trimethyl-N-oxidanyl-piperazin-1-ium-2-carboxamide Openeye Name: N-(4-acetamido-2-amino-phenyl)-N-hydroxy-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide CAS Name: N-(4-acetamido-2-aminophenyl)-N-hydroxy-1,1,4-trimethyl-2-piperazin-1-iumcarboxamide IUPAC Name: N-(4-acetamido-2-aminophenyl)-N-hydroxy-1,1,4-trimethylpiperazin-1-ium-2-carboxamide Traditional Name: N-(4-acetamido-2-amino-phenyl)-N-hydroxy-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O3/c1-11(22)18-12-5-6-14(13(17)9-12)20(24)16(23)15-10-19(2)7-8-21(15,3)4/h5-6,9,15,24H,7-8,10,17H2,1-4H3/p+1