3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-8-methoxy-coumarin Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C17H20N2O5/c1-23-14-4-2-3-12-11-13(17(22)24-15(12)14)16(21)19-7-5-18(6-8-19)9-10-20/h2-4,11,20H,5-10H2,1H3/p+1