6-chloranyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-chloranyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6-chloro-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-chloro-2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]chromone Formula: C23H22ClN2O3+ MolecularWeight: 409.88538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C23H21ClN2O3/c24-18-8-9-21-19(15-18)20(27)16-22(29-21)23(28)26-13-11-25(12-14-26)10-4-7-17-5-2-1-3-6-17/h1-9,15-16H,10-14H2/p+1/b7-4+