3-methyl-2-phenyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 3-methyl-2-phenyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 8-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-methyl-2-phenyl-chromen-4-one CAS Name: 3-methyl-8-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-2-phenyl-1-benzopyran-4-one IUPAC Name: 3-methyl-2-phenyl-8-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 8-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-methyl-2-phenyl-chromone Formula: C30H29N2O3+ MolecularWeight: 465.56286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O3/c1-22-27(33)25-15-8-16-26(29(25)35-28(22)24-13-6-3-7-14-24)30(34)32-20-18-31(19-21-32)17-9-12-23-10-4-2-5-11-23/h2-16H,17-21H2,1H3/p+1/b12-9+