N-(3-carbamothioylphenyl)-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-(3-carbamothioylphenyl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(3-carbamothioylphenyl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(3-carbamothioylphenyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(3-carbamothioylphenyl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: 3-piperidin-1-ium-1-yl-N-(3-thiocarbamoylphenyl)propionamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C15H21N3OS/c16-15(20)12-5-4-6-13(11-12)17-14(19)7-10-18-8-2-1-3-9-18/h4-6,11H,1-3,7-10H2,(H2,16,20)(H,17,19)/p+1