N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25N3O3S/c26-21(17-6-9-19-20(14-17)28-13-12-27-19)24-22(29)23-18-7-4-16(5-8-18)15-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13,15H2,(H2,23,24,26,29)/p+1