2-[4-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(2-morpholino-2-oxo-ethyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-[(2-keto-2-morpholino-ethyl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CSCC(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)CSCC(=O)N3CCOCC3

InChI

InChI=1S/C21H30N4O4S/c26-19(22-14-18-4-2-1-3-5-18)15-23-6-8-24(9-7-23)20(27)16-30-17-21(28)25-10-12-29-13-11-25/h1-5H,6-17H2,(H,22,26)/p+1