N-(2,6-dimethylphenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(2,6-dimethylphenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(2,6-dimethylphenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCNCC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)/p+1