(2R)-1-[(4-carbamothioylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[(4-carbamothioylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[(4-carbamothioylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-[(4-carbamothioylphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[(4-carbamothioylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(4-thiocarbamoylbenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC=C(C=C2)C(=S)N)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC=C(C=C2)C(=S)N)C(=O)N

InChI

InChI=1S/C13H17N3OS/c14-12(17)11-2-1-7-16(11)8-9-3-5-10(6-4-9)13(15)18/h3-6,11H,1-2,7-8H2,(H2,14,17)(H2,15,18)/p+1/t11-/m1/s1