3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C22H25N2O2+ MolecularWeight: 349.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C22H24N2O2/c1-16-6-5-8-20(17(16)2)24-12-10-23(11-13-24)14-18-15-26-21-9-4-3-7-19(21)22(18)25/h3-9,15H,10-14H2,1-2H3/p+1