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

Systemtic Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CCO

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C18H24N2O3/c1-2-14-3-4-17-16(11-14)15(12-18(22)23-17)13-20-7-5-19(6-8-20)9-10-21/h3-4,11-12,21H,2,5-10,13H2,1H3/p+1