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

Systemtic Name: 1-[(Z)-3-chloranyl-3-(4-ethylphenyl)prop-2-enylidene]azepan-1-ium perchlorate Openeye Name: 1-[(Z)-3-chloro-3-(4-ethylphenyl)prop-2-enylidene]azepan-1-ium perchlorate CAS Name: 1-[(Z)-3-chloro-3-(4-ethylphenyl)prop-2-enylidene]azepan-1-ium perchlorate IUPAC Name: 1-[(Z)-3-chloro-3-(4-ethylphenyl)prop-2-enylidene]azepan-1-ium perchlorate Traditional Name: 1-[(Z)-3-chloro-3-(4-ethylphenyl)prop-2-enylidene]azepan-1-ium perchlorate Formula: C17H23Cl2NO4 MolecularWeight: 376.27482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=CC=[N+]2CCCCCC2)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC1=CC=C(C=C1)/C(=C/C=[N+]2CCCCCC2)/Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H23ClN.ClHO4/c1-2-15-7-9-16(10-8-15)17(18)11-14-19-12-5-3-4-6-13-19;2-1(3,4)5/h7-11,14H,2-6,12-13H2,1H3;(H,2,3,4,5)/q+1;/p-1/b17-11-;