3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

InChI

InChI=1S/C22H27N3O3S/c1-27-19-12-17(13-20(14-19)28-2)21(26)24-22(29)23-18-8-6-16(7-9-18)15-25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H2,23,24,26,29)/p+1