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

Systemtic Name: N-(3-carbamothioylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-carbamothioylphenyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: 2-pyrrolidin-1-ium-1-yl-N-(3-thiocarbamoylphenyl)acetamide Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H17N3OS/c14-13(18)10-4-3-5-11(8-10)15-12(17)9-16-6-1-2-7-16/h3-5,8H,1-2,6-7,9H2,(H2,14,18)(H,15,17)/p+1