4-[3,4-bis(chloranyl)phenoxy]but-2-ynyl-ethyl-azanium

Systemtic Name: 4-[3,4-bis(chloranyl)phenoxy]but-2-ynyl-ethyl-azanium Openeye Name: 4-(3,4-dichlorophenoxy)but-2-ynyl-ethyl-ammonium CAS Name: 4-(3,4-dichlorophenoxy)but-2-ynyl-ethylammonium IUPAC Name: 4-(3,4-dichlorophenoxy)but-2-ynyl-ethylazanium Traditional Name: 4-(3,4-dichlorophenoxy)but-2-ynyl-ethyl-ammonium Formula: C12H14Cl2NO+ MolecularWeight: 259.15166

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC#CCOC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC[NH2+]CC#CCOC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO/c1-2-15-7-3-4-8-16-10-5-6-11(13)12(14)9-10/h5-6,9,15H,2,7-8H2,1H3/p+1