N-(2-chloranyl-4,6-dimethyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C14H21ClN3O+ MolecularWeight: 282.78904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O/c1-10-7-11(2)14(12(15)8-10)17-13(19)9-18-5-3-16-4-6-18/h7-8,16H,3-6,9H2,1-2H3,(H,17,19)/p+1