(2S)-N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-carbamothioylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-carbamothioylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-thiocarbamoylphenyl)propionamide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C16H23N3OS/c1-11-4-3-9-19(10-11)12(2)16(20)18-14-7-5-13(6-8-14)15(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,21)(H,18,20)/p+1/t11-,12-/m0/s1