(2S)-N-(4-carbamothioylphenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-carbamothioylphenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-carbamothioylphenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-carbamothioylphenyl)-2-(4-hydroxy-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-carbamothioylphenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-(4-thiocarbamoylphenyl)propionamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=S)N)[NH+]2CCC(CC2)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=S)N)[NH+]2CCC(CC2)O

InChI

InChI=1S/C15H21N3O2S/c1-10(18-8-6-13(19)7-9-18)15(20)17-12-4-2-11(3-5-12)14(16)21/h2-5,10,13,19H,6-9H2,1H3,(H2,16,21)(H,17,20)/p+1/t10-/m0/s1