N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyladamantane-1-carboxamide

Systemtic Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]adamantane-1-carboxamide Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H29N3O2S/c22-6-5-20-1-3-21(4-2-20)17(24)19-16(23)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15,22H,1-12H2,(H,19,23,24)/p+1