N-(2-methylprop-2-enyl)-2-[(2S)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-methylprop-2-enyl)-2-[(2S)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(2-methylallyl)-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-(2-methylprop-2-enyl)-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylprop-2-enyl)-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-(2-methylallyl)acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=C)CNC(=O)C[C@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3/c1-17(2)15-25-22(27)14-21-23(28)24-11-12-26(21)16-18-7-6-10-20(13-18)29-19-8-4-3-5-9-19/h3-10,13,21H,1,11-12,14-16H2,2H3,(H,24,28)(H,25,27)/p+1/t21-/m0/s1