6-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H27N2O4+ MolecularWeight: 395.47148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C23H26N2O4/c1-3-16-11-20-17(12-23(27)29-22(20)14-21(16)26)15-24-7-9-25(10-8-24)18-5-4-6-19(13-18)28-2/h4-6,11-14,26H,3,7-10,15H2,1-2H3/p+1