5,7-dimethoxy-4-methyl-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 5,7-dimethoxy-4-methyl-3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-5,7-dimethoxy-4-methyl-chromen-2-one CAS Name: 5,7-dimethoxy-4-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 5,7-dimethoxy-4-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-5,7-dimethoxy-4-methyl-coumarin Formula: C27H31N2O5+ MolecularWeight: 463.54544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OC)OC)CC(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5/c1-19-22(27(31)34-24-17-21(32-2)16-23(33-3)26(19)24)18-25(30)29-14-12-28(13-15-29)11-7-10-20-8-5-4-6-9-20/h4-10,16-17H,11-15,18H2,1-3H3/p+1/b10-7+