4-cyclopentyl-N-(4-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-cyclopentyl-N-(4-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-cyclopentyl-N-(4-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-cyclopentyl-N-[4-(methylthio)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-cyclopentyl-N-(4-methylsulfanylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-cyclopentyl-N-[4-(methylthio)phenyl]piperazin-4-ium-1-carboxamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C17H25N3OS/c1-22-16-8-6-14(7-9-16)18-17(21)20-12-10-19(11-13-20)15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3,(H,18,21)/p+1