N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-methyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N-methyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-N-methyl-piperonylamide Formula: C21H31N4O5+ MolecularWeight: 419.49464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)22-18(26)12-24-7-9-25(10-8-24)19(27)13-23(4)20(28)15-5-6-16-17(11-15)30-14-29-16/h5-6,11H,7-10,12-14H2,1-4H3,(H,22,26)/p+1