N'-(1,3-benzodioxol-5-yl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N'-(1,3-benzodioxol-5-yl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O4/c1-12(2)21-7-5-13(6-8-21)10-19-17(22)18(23)20-14-3-4-15-16(9-14)25-11-24-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,22)(H,20,23)/p+1