2,6-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,6-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,6-dimethoxy-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,6-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=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

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

InChI

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