2-(azocan-1-ium-1-yl)-N-(3-carbamothioylphenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(3-carbamothioylphenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(3-carbamothioylphenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-(3-carbamothioylphenyl)acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(3-carbamothioylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(3-thiocarbamoylphenyl)acetamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C16H23N3OS/c17-16(21)13-7-6-8-14(11-13)18-15(20)12-19-9-4-2-1-3-5-10-19/h6-8,11H,1-5,9-10,12H2,(H2,17,21)(H,18,20)/p+1