N-(2,3-dimethylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCNC(=O)C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCNC(=O)C2)C

InChI

InChI=1S/C14H19N3O2/c1-10-4-3-5-12(11(10)2)16-14(19)9-17-7-6-15-13(18)8-17/h3-5H,6-9H2,1-2H3,(H,15,18)(H,16,19)/p+1