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

Systemtic Name: 2-(1-benzamido-4-methyl-piperazin-1-ium-1-yl)-1-phenyl-ethanolate Openeye Name: 2-(1-benzamido-4-methyl-piperazin-1-ium-1-yl)-1-phenyl-ethanolate CAS Name: 2-(1-benzamido-4-methyl-1-piperazin-1-iumyl)-1-phenylethanolate IUPAC Name: 2-(1-benzamido-4-methylpiperazin-1-ium-1-yl)-1-phenylethanolate Traditional Name: 2-(1-benzamido-4-methyl-piperazin-1-ium-1-yl)-1-phenyl-ethanolate Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(CC(C2=CC=CC=C2)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CC[N+](CC1)(CC(C2=CC=CC=C2)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-22-12-14-23(15-13-22,16-19(24)17-8-4-2-5-9-17)21-20(25)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,21,25)