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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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