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

Systemtic Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-4-propyl-chromen-2-one Openeye Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-4-propyl-chromen-2-one CAS Name: 7-[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-4-propyl-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-4-propylchromen-2-one Traditional Name: 7-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]-4-propyl-coumarin Formula: C20H27N2O5+ MolecularWeight: 375.43878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C20H26N2O5/c1-2-3-15-12-20(25)27-18-13-16(4-5-17(15)18)26-14-19(24)22-8-6-21(7-9-22)10-11-23/h4-5,12-13,23H,2-3,6-11,14H2,1H3/p+1