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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-12-3-2-9-19(11-12)10-8-15(20)18-14-6-4-13(5-7-14)16(17)21/h4-7,12H,2-3,8-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t12-/m0/s1