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

Systemtic Name: 4-methyl-7-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]chromen-2-one Openeye Name: 7-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C24H29N2O4+ MolecularWeight: 409.49806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CC[NH+](CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@@H](CN3CC[NH+](CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H28N2O4/c1-18-13-24(28)30-23-14-21(7-8-22(18)23)29-17-20(27)16-26-11-9-25(10-12-26)15-19-5-3-2-4-6-19/h2-8,13-14,20,27H,9-12,15-17H2,1H3/p+1/t20-/m1/s1