N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[dimorpholino(phenyl)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[bis(4-morpholinyl)-phenylphosphoranylidene]-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[dimorpholin-4-yl(phenyl)-$l^{5}-phosphanylidene]-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-[dimorpholino(phenyl)phosphoranylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C21H35N5O2PS+ MolecularWeight: 452.573661

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)N=P(C2=CC=CC=C2)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)N=P(C2=CC=CC=C2)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H34N5O2PS/c1-2-23-8-10-24(11-9-23)21(30)22-29(20-6-4-3-5-7-20,25-12-16-27-17-13-25)26-14-18-28-19-15-26/h3-7H,2,8-19H2,1H3/p+1