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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC(=O)NC2=CC=CC=C2C(=S)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC(=O)NC2=CC=CC=C2C(=S)N

InChI

InChI=1S/C16H23N3OS/c1-12-6-4-5-10-19(12)11-9-15(20)18-14-8-3-2-7-13(14)16(17)21/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t12-/m0/s1