N-(2-butoxyphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-butoxyphenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-butoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(2-butoxyphenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-butoxyphenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2-butoxyphenyl)-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

CCCCOC1=CC=CC=C1NC(=O)C[C@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C16H23N3O3/c1-2-3-10-22-14-7-5-4-6-12(14)19-15(20)11-13-16(21)18-9-8-17-13/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)/p+1/t13-/m0/s1