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

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-oxidanyl-chromen-2-one Openeye Name: 6-hydroxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-hydroxy-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-hydroxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-hydroxy-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H23N2O4+ MolecularWeight: 367.41832

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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-26-18-5-2-16(3-6-18)23-10-8-22(9-11-23)14-15-12-21(25)27-20-7-4-17(24)13-19(15)20/h2-7,12-13,24H,8-11,14H2,1H3/p+1