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

Systemtic Name: 3-[1,3-benzodioxol-5-ylcarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: 3-[1,3-benzodioxole-5-carbonyl(tert-butoxycarbonyl)amino]propyl-(thiazol-2-ylmethyl)ammonium CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl-(2-thiazolylmethyl)ammonium IUPAC Name: 3-[1,3-benzodioxole-5-carbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: 3-[tert-butoxycarbonyl(piperonyloyl)amino]propyl-(thiazol-2-ylmethyl)ammonium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N3O5S/c1-20(2,3)28-19(25)23(9-4-7-21-12-17-22-8-10-29-17)18(24)14-5-6-15-16(11-14)27-13-26-15/h5-6,8,10-11,21H,4,7,9,12-13H2,1-3H3/p+1