N-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-2-piperazin-4-ium-1-yl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-oxo-2-piperazin-4-ium-1-yl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(1-piperazin-4-iumyl)acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-oxo-2-piperazin-4-ium-1-ylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-keto-2-piperazin-4-ium-1-yl-acetamide Formula: C13H17ClN3O3+ MolecularWeight: 298.74538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=O)N2CC[NH2+]CC2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=O)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C13H16ClN3O3/c1-20-11-3-2-9(8-10(11)14)16-12(18)13(19)17-6-4-15-5-7-17/h2-3,8,15H,4-7H2,1H3,(H,16,18)/p+1