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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylcarbonyl-amino]propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-[tert-butoxycarbonyl(pyridine-3-carbonyl)amino]propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[oxo(3-pyridinyl)methyl]amino]propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(pyridine-3-carbonyl)amino]propyl]azanium Traditional Name: 3-[tert-butoxycarbonyl(nicotinoyl)amino]propyl-piperonyl-ammonium Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=CC2=C(C=C1)OCO2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=CC2=C(C=C1)OCO2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)30-21(27)25(20(26)17-6-4-9-24-14-17)11-5-10-23-13-16-7-8-18-19(12-16)29-15-28-18/h4,6-9,12,14,23H,5,10-11,13,15H2,1-3H3/p+1