3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]coumarin Formula: C23H23N2O3+ MolecularWeight: 375.44032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H22N2O3/c26-22(20-17-19-10-4-5-11-21(19)28-23(20)27)25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-11,17H,12-16H2/p+1/b9-6+