N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[1-adamantyl-bis(dimethylamino)phosphoranylidene]-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-[1-adamantyl-bis(dimethylamino)phosphoranylidene]-4-ethyl-piperazin-4-ium-1-carbothioamide Formula: C21H41N5PS+ MolecularWeight: 426.622501

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)N=P(C23CC4CC(C2)CC(C4)C3)(N(C)C)N(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)N=P(C23CC4CC(C2)CC(C4)C3)(N(C)C)N(C)C

InChI

InChI=1S/C21H40N5PS/c1-6-25-7-9-26(10-8-25)20(28)22-27(23(2)3,24(4)5)21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,6-16H2,1-5H3/p+1