2-(azocan-1-ium-1-yl)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(4-methylsulfanylphenyl)methyleneamino]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(Z)-[4-(methylthio)phenyl]methylideneamino]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[(Z)-[4-(methylthio)benzylidene]amino]acetamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NNC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N\NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C17H25N3OS/c1-22-16-9-7-15(8-10-16)13-18-19-17(21)14-20-11-5-3-2-4-6-12-20/h7-10,13H,2-6,11-12,14H2,1H3,(H,19,21)/p+1/b18-13-