3-[cyclohexylcarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium

Systemtic Name: 3-[cyclohexylcarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Openeye Name: 3-[tert-butoxycarbonyl(cyclohexanecarbonyl)amino]propyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium CAS Name: 3-[[cyclohexyl(oxo)methyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium IUPAC Name: 3-[cyclohexanecarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium Traditional Name: 3-[tert-butoxycarbonyl(cyclohexanecarbonyl)amino]propyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ammonium Formula: C24H37N2O5+ MolecularWeight: 433.56098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=CC2=C(C=C1)OCCO2)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=CC2=C(C=C1)OCCO2)C(=O)C3CCCCC3

InChI

InChI=1S/C24H36N2O5/c1-24(2,3)31-23(28)26(22(27)19-8-5-4-6-9-19)13-7-12-25-17-18-10-11-20-21(16-18)30-15-14-29-20/h10-11,16,19,25H,4-9,12-15,17H2,1-3H3/p+1