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1,3-benzodioxol-5-ylmethyl-[3-[3,3-dimethylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]azanium

1,3-benzodioxol-5-ylmethyl-[3-[3,3-dimethylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]azanium

Systemtic Name:1,3-benzodioxol-5-ylmethyl-[3-[3,3-dimethylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-[3-[tert-butoxycarbonyl(3,3-dimethylbutanoyl)amino]propyl]ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-[3-[(3,3-dimethyl-1-oxobutyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-[3-[3,3-dimethylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]azanium
Traditional Name:3-[tert-butoxycarbonyl(3,3-dimethylbutanoyl)amino]propyl-piperonyl-ammonium
Formula: C22H35N2O5+
MolecularWeight: 407.5237
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCC[NH2+]CC1=CC2=C(C=C1)OCO2)C(=O)OC(C)(C)C


Isomeric SMILES

CC(C)(C)CC(=O)N(CCC[NH2+]CC1=CC2=C(C=C1)OCO2)C(=O)OC(C)(C)C


InChI

InChI=1S/C22H34N2O5/c1-21(2,3)13-19(25)24(20(26)29-22(4,5)6)11-7-10-23-14-16-8-9-17-18(12-16)28-15-27-17/h8-9,12,23H,7,10-11,13-15H2,1-6H3/p+1


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