N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C14H21ClN3O3+ MolecularWeight: 314.78784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCNCC2)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCNCC2)OC)Cl

InChI

InChI=1S/C14H20ClN3O3/c1-20-12-8-11(13(21-2)7-10(12)15)17-14(19)9-18-5-3-16-4-6-18/h7-8,16H,3-6,9H2,1-2H3,(H,17,19)/p+1