5,7-dimethyl-4-[[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 5,7-dimethyl-4-[[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-cinnamylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-chromen-2-one CAS Name: 5,7-dimethyl-4-[[4-(3-phenylprop-2-enyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 5,7-dimethyl-4-[[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 4-[(4-cinnamylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-coumarin Formula: C25H30N2O2+2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N2O2/c1-19-15-20(2)25-22(17-24(28)29-23(25)16-19)18-27-13-11-26(12-14-27)10-6-9-21-7-4-3-5-8-21/h3-9,15-17H,10-14,18H2,1-2H3/p+2