1-methyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide

Systemtic Name: 1-methyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide Openeye Name: 1-methyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide CAS Name: 1-methyl-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarbothioamide IUPAC Name: 1-methyl-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carbothioamide Traditional Name: 1-methyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbothioamide Formula: C12H25N3S+2 MolecularWeight: 243.412

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C(=S)N)[NH+]2CCCCC2

Isomeric SMILES

C[NH+]1CCC(CC1)(C(=S)N)[NH+]2CCCCC2

InChI

InChI=1S/C12H23N3S/c1-14-9-5-12(6-10-14,11(13)16)15-7-3-2-4-8-15/h2-10H2,1H3,(H2,13,16)/p+2