N-(4-carbamothioylphenyl)-4-piperidin-1-ium-1-yl-butanamide

Systemtic Name: N-(4-carbamothioylphenyl)-4-piperidin-1-ium-1-yl-butanamide Openeye Name: N-(4-carbamothioylphenyl)-4-piperidin-1-ium-1-yl-butanamide CAS Name: N-(4-carbamothioylphenyl)-4-(1-piperidin-1-iumyl)butanamide IUPAC Name: N-(4-carbamothioylphenyl)-4-piperidin-1-ium-1-ylbutanamide Traditional Name: 4-piperidin-1-ium-1-yl-N-(4-thiocarbamoylphenyl)butyramide Formula: C16H24N3OS+ MolecularWeight: 306.44626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c17-16(21)13-6-8-14(9-7-13)18-15(20)5-4-12-19-10-2-1-3-11-19/h6-9H,1-5,10-12H2,(H2,17,21)(H,18,20)/p+1