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

Systemtic Name: 1-methyl-4-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]piperazin-4-ium perchlorate Openeye Name: 1-methyl-4-[6-methyl-2-(p-tolyl)chromen-4-ylidene]piperazin-4-ium perchlorate CAS Name: 1-methyl-4-[6-methyl-2-(4-methylphenyl)-1-benzopyran-4-ylidene]piperazin-4-ium perchlorate IUPAC Name: 1-methyl-4-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]piperazin-4-ium perchlorate Traditional Name: 1-methyl-4-[6-methyl-2-(p-tolyl)chromen-4-ylidene]piperazin-4-ium perchlorate Formula: C22H25ClN2O5 MolecularWeight: 432.8973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[N+]3CCN(CC3)C)C4=C(O2)C=CC(=C4)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[N+]3CCN(CC3)C)C4=C(O2)C=CC(=C4)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H25N2O.ClHO4/c1-16-4-7-18(8-5-16)22-15-20(24-12-10-23(3)11-13-24)19-14-17(2)6-9-21(19)25-22;2-1(3,4)5/h4-9,14-15H,10-13H2,1-3H3;(H,2,3,4,5)/q+1;/p-1