6-chloranyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-15-11-21-17(13-18(15)23)16(12-22(26)28-21)14-24-7-9-25(10-8-24)19-5-3-4-6-20(19)27-2/h3-6,11-13H,7-10,14H2,1-2H3/p+1