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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl]azanium Traditional Name: [4-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]-piperonyl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)23-20(24)13-25-17-7-4-15(5-8-17)11-22-12-16-6-9-18-19(10-16)27-14-26-18/h4-10,22H,11-14H2,1-3H3,(H,23,24)/p+1