4-cyclohexyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-cyclohexyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-cyclohexyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-cyclohexyl-N-[3-(methylthio)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-cyclohexyl-N-(3-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-cyclohexyl-N-[3-(methylthio)phenyl]piperazin-4-ium-1-carboxamide Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C18H27N3OS/c1-23-17-9-5-6-15(14-17)19-18(22)21-12-10-20(11-13-21)16-7-3-2-4-8-16/h5-6,9,14,16H,2-4,7-8,10-13H2,1H3,(H,19,22)/p+1