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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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