(2S)-N-(2-carbamothioylphenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-carbamothioylphenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-carbamothioylphenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-carbamothioylphenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-carbamothioylphenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-2-piperidin-1-ium-1-yl-N-(2-thiocarbamoylphenyl)propionamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=S)N)[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(=S)N)[NH+]2CCCCC2

InChI

InChI=1S/C15H21N3OS/c1-11(18-9-5-2-6-10-18)15(19)17-13-8-4-3-7-12(13)14(16)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,16,20)(H,17,19)/p+1/t11-/m0/s1