N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-piperonylamide Formula: C20H29N2O3+ MolecularWeight: 345.45586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCCCC4

InChI

InChI=1S/C20H28N2O3/c23-19(16-7-8-17-18(13-16)25-15-24-17)21-14-20(9-3-1-4-10-20)22-11-5-2-6-12-22/h7-8,13H,1-6,9-12,14-15H2,(H,21,23)/p+1