3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]propylazanium

Systemtic Name: 3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]propylazanium Openeye Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]propylammonium CAS Name: 3-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]propylammonium IUPAC Name: 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]propylazanium Traditional Name: 3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]propylammonium Formula: C12H18ClN2O2+ MolecularWeight: 257.73652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCCC[NH3+])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCCC[NH3+])Cl

InChI

InChI=1S/C12H17ClN2O2/c1-9-7-10(3-4-11(9)13)17-8-12(16)15-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)/p+1