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

Systemtic Name: 6-chloranyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)Cl

InChI

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