N-cyclohexyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclohexyl-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclohexyl-4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclohexyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclohexyl-4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-carbothioamide Formula: C16H27N4OS+ MolecularWeight: 323.47678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NC3CCCCC3

InChI

InChI=1S/C16H26N4OS/c1-13-11-15(18-21-13)12-19-7-9-20(10-8-19)16(22)17-14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3,(H,17,22)/p+1