2-[4-(4-ethylpiperazin-4-ium-1-yl)carbothioylphenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)carbothioylphenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-morpholino-ethanone CAS Name: 2-[4-[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-morpholino-ethanone Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)N3CCOCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)N3CCOCC3

InChI

InChI=1S/C19H27N3O3S/c1-2-20-7-9-22(10-8-20)19(26)16-3-5-17(6-4-16)25-15-18(23)21-11-13-24-14-12-21/h3-6H,2,7-15H2,1H3/p+1