2-[4-[(E)-3-chloranyl-3-oxidanylidene-prop-1-enyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[(E)-3-chloranyl-3-oxidanylidene-prop-1-enyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(E)-3-chloro-3-oxo-prop-1-enyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(E)-3-chloro-3-keto-prop-1-enyl]phenoxy]ethyl-dimethyl-ammonium Formula: C13H17ClNO2+ MolecularWeight: 254.73258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)C=CC(=O)Cl

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)/C=C/C(=O)Cl

InChI

InChI=1S/C13H16ClNO2/c1-15(2)9-10-17-12-6-3-11(4-7-12)5-8-13(14)16/h3-8H,9-10H2,1-2H3/p+1/b8-5+