2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl-(1-phenyltridecan-2-yl)azanium chloride

Systemtic Name: 2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl-(1-phenyltridecan-2-yl)azanium chloride Openeye Name: 1-benzyldodecyl-[2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl]ammonium chloride CAS Name: 2-[[2-(2-methyl-1-oxopropoxy)ethoxy-oxomethyl]amino]ethyl-(1-phenyltridecan-2-yl)ammonium chloride IUPAC Name: 2-[2-(2-methylpropanoyloxy)ethoxycarbonylamino]ethyl-(1-phenyltridecan-2-yl)azanium chloride Traditional Name: 1-benzyldodecyl-[2-(2-isobutyryloxyethoxycarbonylamino)ethyl]ammonium chloride Formula: C28H49ClN2O4 MolecularWeight: 513.15266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH2+]CCNC(=O)OCCOC(=O)C(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH2+]CCNC(=O)OCCOC(=O)C(C)C.[Cl-]

InChI

InChI=1S/C28H48N2O4.ClH/c1-4-5-6-7-8-9-10-11-15-18-26(23-25-16-13-12-14-17-25)29-19-20-30-28(32)34-22-21-33-27(31)24(2)3;/h12-14,16-17,24,26,29H,4-11,15,18-23H2,1-3H3,(H,30,32);1H