5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-oxidanyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Systemtic Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-oxidanyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one Openeye Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)methyl]-6-hydroxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one IUPAC Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-hydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one Traditional Name: 5-[(4-ethylpiperazin-4-ium-1-yl)methyl]-6-hydroxy-2-(3,4,5-trimethoxyphenyl)chromone Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)O

InChI

InChI=1S/C25H30N2O6/c1-5-26-8-10-27(11-9-26)15-17-18(28)6-7-20-24(17)19(29)14-21(33-20)16-12-22(30-2)25(32-4)23(13-16)31-3/h6-7,12-14,28H,5,8-11,15H2,1-4H3/p+1