4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-2-one

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-2-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-2-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-6-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methylchromen-2-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methyl-coumarin Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C17H22N2O3/c1-13-2-3-16-15(10-13)14(11-17(21)22-16)12-19-6-4-18(5-7-19)8-9-20/h2-3,10-11,20H,4-9,12H2,1H3/p+1