1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazin-1-ium perchlorate

Systemtic Name: 1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazin-1-ium perchlorate Openeye Name: 1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazin-1-ium perchlorate CAS Name: 1-[2-(4-chlorophenyl)-6-methyl-1-benzopyran-4-ylidene]-4-ethylpiperazin-1-ium perchlorate IUPAC Name: 1-[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-4-ethylpiperazin-1-ium perchlorate Traditional Name: 1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazin-1-ium perchlorate Formula: C22H24Cl2N2O5 MolecularWeight: 467.34236

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](=C2C=C(OC3=C2C=C(C=C3)C)C4=CC=C(C=C4)Cl)CC1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN1CC[N+](=C2C=C(OC3=C2C=C(C=C3)C)C4=CC=C(C=C4)Cl)CC1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H24ClN2O.ClHO4/c1-3-24-10-12-25(13-11-24)20-15-22(17-5-7-18(23)8-6-17)26-21-9-4-16(2)14-19(20)21;2-1(3,4)5/h4-9,14-15H,3,10-13H2,1-2H3;(H,2,3,4,5)/q+1;/p-1