1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[2-(4-chlorophenyl)-6-methyl-1-benzopyran-4-ylidene]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]-4-ethyl-piperazine-1,4-diium Formula: C22H25ClN2O+2 MolecularWeight: 368.8997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[N+](=C2C=C(OC3=C2C=C(C=C3)C)C4=CC=C(C=C4)Cl)CC1

Isomeric SMILES

CC[NH+]1CC[N+](=C2C=C(OC3=C2C=C(C=C3)C)C4=CC=C(C=C4)Cl)CC1

InChI

InChI=1S/C22H24ClN2O/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/h4-9,14-15H,3,10-13H2,1-2H3/q+1/p+1