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

Systemtic Name: N-(3-carbamothioylphenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(3-carbamothioylphenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: 2-piperidin-1-ium-1-yl-N-(3-thiocarbamoylphenyl)acetamide Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C14H19N3OS/c15-14(19)11-5-4-6-12(9-11)16-13(18)10-17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2,(H2,15,19)(H,16,18)/p+1