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

Systemtic Name: N-(3-methylsulfanylpropyl)-2-[(2S)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-methylsulfanylpropyl)-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(methylthio)propyl]-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylsulfanylpropyl)-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-[3-(methylthio)propyl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-30-14-6-11-24-22(27)16-21-23(28)25-12-13-26(21)17-18-7-5-10-20(15-18)29-19-8-3-2-4-9-19/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3,(H,24,27)(H,25,28)/p+1/t21-/m0/s1