N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]-piperonylamide Formula: C19H23N2O3S+ MolecularWeight: 359.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C19H22N2O3S/c22-19(15-3-4-17-18(10-15)24-13-23-17)20-11-14-5-7-21(8-6-14)12-16-2-1-9-25-16/h1-4,9-10,14H,5-8,11-13H2,(H,20,22)/p+1