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

Systemtic Name: 8-ethoxy-3-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-cinnamylpiperazin-4-ium-1-carbonyl)-8-ethoxy-chromen-2-one CAS Name: 8-ethoxy-3-[oxo-[4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 8-ethoxy-3-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-(4-cinnamylpiperazin-4-ium-1-carbonyl)-8-ethoxy-coumarin Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4/c1-2-30-22-12-6-11-20-18-21(25(29)31-23(20)22)24(28)27-16-14-26(15-17-27)13-7-10-19-8-4-3-5-9-19/h3-12,18H,2,13-17H2,1H3/p+1