2-(1-acetamido-4-methyl-piperazin-1-ium-1-yl)-1-phenyl-ethanolate

Systemtic Name: 2-(1-acetamido-4-methyl-piperazin-1-ium-1-yl)-1-phenyl-ethanolate Openeye Name: 2-(1-acetamido-4-methyl-piperazin-1-ium-1-yl)-1-phenyl-ethanolate CAS Name: 2-(1-acetamido-4-methyl-1-piperazin-1-iumyl)-1-phenylethanolate IUPAC Name: 2-(1-acetamido-4-methylpiperazin-1-ium-1-yl)-1-phenylethanolate Traditional Name: 2-(1-acetamido-4-methyl-piperazin-1-ium-1-yl)-1-phenyl-ethanolate Formula: C15H23N3O2 MolecularWeight: 277.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1(CCN(CC1)C)CC(C2=CC=CC=C2)[O-]

Isomeric SMILES

CC(=O)N[N+]1(CCN(CC1)C)CC(C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H23N3O2/c1-13(19)16-18(10-8-17(2)9-11-18)12-15(20)14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3,(H,16,19)