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

Systemtic Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-N'-piperonyl-oxamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O4/c1-13(2)22-7-5-14(6-8-22)10-20-18(23)19(24)21-11-15-3-4-16-17(9-15)26-12-25-16/h3-4,9,13-14H,5-8,10-12H2,1-2H3,(H,20,23)(H,21,24)/p+1