2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]ethyl-diisopropyl-ammonium Formula: C17H28ClN2O2+ MolecularWeight: 327.86942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCC[NH+](C(C)C)C(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCC[NH+](C(C)C)C(C)C)Cl

InChI

InChI=1S/C17H27ClN2O2/c1-12(2)20(13(3)4)9-8-19-17(21)11-22-15-6-7-16(18)14(5)10-15/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,19,21)/p+1