7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-4-methyl-chromen-2-one CAS Name: 7-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 3-benzyl-7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]-4-methyl-coumarin Formula: C25H29N2O5+ MolecularWeight: 437.50816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CCO)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O5/c1-18-21-8-7-20(31-17-24(29)27-11-9-26(10-12-27)13-14-28)16-23(21)32-25(30)22(18)15-19-5-3-2-4-6-19/h2-8,16,28H,9-15,17H2,1H3/p+1