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

Systemtic Name: 4-[2-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)amino]ethyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[2-[(3,3-dimethyl-5-oxo-cyclohexylidene)amino]ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(3,3-dimethyl-5-oxocyclohexylidene)amino]ethyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-[2-[(5-keto-3,3-dimethyl-cyclohexylidene)amino]ethyl]piperazin-4-ium-1-carbothioamide Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4OS/c1-4-5-20-17(24)22-10-8-21(9-11-22)7-6-19-15-12-16(23)14-18(2,3)13-15/h4H,1,5-14H2,2-3H3,(H,20,24)/p+1