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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]-piperonyl-ammonium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C22H28N2O5/c1-22(2,3)24-21(25)13-27-17-7-5-15(9-19(17)26-4)11-23-12-16-6-8-18-20(10-16)29-14-28-18/h5-10,23H,11-14H2,1-4H3,(H,24,25)/p+1