4-methyl-7-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propoxy]chromen-2-one Openeye Name: 4-methyl-7-[3-[4-(o-tolyl)piperazin-1-ium-1-yl]propoxy]chromen-2-one CAS Name: 4-methyl-7-[3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propoxy]chromen-2-one Traditional Name: 4-methyl-7-[3-[4-(o-tolyl)piperazin-1-ium-1-yl]propoxy]coumarin Formula: C24H29N2O3+ MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C24H28N2O3/c1-18-6-3-4-7-22(18)26-13-11-25(12-14-26)10-5-15-28-20-8-9-21-19(2)16-24(27)29-23(21)17-20/h3-4,6-9,16-17H,5,10-15H2,1-2H3/p+1