N-(3-chloranyl-4-methoxy-phenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(2S)-3-ketopiperazin-1-ium-2-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)CC2C(=O)NCC[NH2+]2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[C@H]2C(=O)NCC[NH2+]2)Cl

InChI

InChI=1S/C13H16ClN3O3/c1-20-11-3-2-8(6-9(11)14)17-12(18)7-10-13(19)16-5-4-15-10/h2-3,6,10,15H,4-5,7H2,1H3,(H,16,19)(H,17,18)/p+1/t10-/m0/s1