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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC(=O)NC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-12-4-2-3-10-19(12)11-9-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,12H,2-4,9-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t12-/m1/s1