8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(3-methoxyphenoxy)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(3-methoxyphenoxy)-7-oxidanyl-chromen-4-one Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)chromen-4-one CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)-1-benzopyran-4-one IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)chromen-4-one Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(3-methoxyphenoxy)chromone Formula: C23H28N2O5+2 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)O

InChI

InChI=1S/C23H26N2O5/c1-3-24-9-11-25(12-10-24)14-19-20(26)8-7-18-22(27)21(15-29-23(18)19)30-17-6-4-5-16(13-17)28-2/h4-8,13,15,26H,3,9-12,14H2,1-2H3/p+2