N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[bis(1-azepanyl)-tert-butylphosphoranylidene]-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C22H45N5PS+ MolecularWeight: 442.664961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)N1CC[NH+](CC1)C)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)P(=NC(=S)N1CC[NH+](CC1)C)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C22H44N5PS/c1-22(2,3)28(26-13-9-5-6-10-14-26,27-15-11-7-8-12-16-27)23-21(29)25-19-17-24(4)18-20-25/h5-20H2,1-4H3/p+1