4-[2,5-bis(chloranyl)phenoxy]butyl-prop-2-enyl-azanium

Systemtic Name: 4-[2,5-bis(chloranyl)phenoxy]butyl-prop-2-enyl-azanium Openeye Name: allyl-[4-(2,5-dichlorophenoxy)butyl]ammonium CAS Name: 4-(2,5-dichlorophenoxy)butyl-prop-2-enylammonium IUPAC Name: 4-(2,5-dichlorophenoxy)butyl-prop-2-enylazanium Traditional Name: allyl-[4-(2,5-dichlorophenoxy)butyl]ammonium Formula: C13H18Cl2NO+ MolecularWeight: 275.19412

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CCCCOC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

C=CC[NH2+]CCCCOC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H17Cl2NO/c1-2-7-16-8-3-4-9-17-13-10-11(14)5-6-12(13)15/h2,5-6,10,16H,1,3-4,7-9H2/p+1