4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H21ClN2O3/c1-14-2-3-16(22)11-19(14)24-8-6-23(7-9-24)13-15-10-21(26)27-20-12-17(25)4-5-18(15)20/h2-5,10-12,25H,6-9,13H2,1H3/p+1