(3S)-1-[(2-carbamothioylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-carbamothioylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-carbamothioylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-carbamothioylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-carbamothioylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-thiocarbamoylbenzyl)piperidin-1-ium-3-carboxamide Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C(=S)N)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C(=S)N)C(=O)N

InChI

InChI=1S/C14H19N3OS/c15-13(18)11-5-3-7-17(9-11)8-10-4-1-2-6-12(10)14(16)19/h1-2,4,6,11H,3,5,7-9H2,(H2,15,18)(H2,16,19)/p+1/t11-/m0/s1