1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]-piperonyl-ammonium Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C23H30N2O5/c1-5-27-20-10-16(6-8-18(20)28-14-22(26)25-23(2,3)4)12-24-13-17-7-9-19-21(11-17)30-15-29-19/h6-11,24H,5,12-15H2,1-4H3,(H,25,26)/p+1