4-[2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(3,3-dimethyl-5-oxo-cyclohexylidene)amino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(5-keto-3,3-dimethyl-cyclohexylidene)amino]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C16H29N4OS+ MolecularWeight: 325.49266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NCC[NH+]2CCN(CC2)C(=S)NC)CC(=O)C1)C

Isomeric SMILES

CC1(CC(=NCC[NH+]2CCN(CC2)C(=S)NC)CC(=O)C1)C

InChI

InChI=1S/C16H28N4OS/c1-16(2)11-13(10-14(21)12-16)18-4-5-19-6-8-20(9-7-19)15(22)17-3/h4-12H2,1-3H3,(H,17,22)/p+1