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

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-8-prop-2-enyl-chromen-2-one Openeye Name: 8-allyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-8-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-8-prop-2-enylchromen-2-one Traditional Name: 8-allyl-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C19H22N2O4/c1-2-4-14-5-3-6-15-13-16(19(24)25-17(14)15)18(23)21-9-7-20(8-10-21)11-12-22/h2-3,5-6,13,22H,1,4,7-12H2/p+1