1-[(Z)-3-chloranyl-3-(4-fluorophenyl)prop-2-enylidene]azepan-1-ium perchlorate

Systemtic Name: 1-[(Z)-3-chloranyl-3-(4-fluorophenyl)prop-2-enylidene]azepan-1-ium perchlorate Openeye Name: 1-[(Z)-3-chloro-3-(4-fluorophenyl)prop-2-enylidene]azepan-1-ium perchlorate CAS Name: 1-[(Z)-3-chloro-3-(4-fluorophenyl)prop-2-enylidene]azepan-1-ium perchlorate IUPAC Name: 1-[(Z)-3-chloro-3-(4-fluorophenyl)prop-2-enylidene]azepan-1-ium perchlorate Traditional Name: 1-[(Z)-3-chloro-3-(4-fluorophenyl)prop-2-enylidene]azepan-1-ium perchlorate Formula: C15H18Cl2FNO4 MolecularWeight: 366.212123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=CC=C(C2=CC=C(C=C2)F)Cl)CC1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC[N+](=C/C=C(/C2=CC=C(C=C2)F)\Cl)CC1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H18ClFN.ClHO4/c16-15(13-5-7-14(17)8-6-13)9-12-18-10-3-1-2-4-11-18;2-1(3,4)5/h5-9,12H,1-4,10-11H2;(H,2,3,4,5)/q+1;/p-1/b15-9-;