8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methoxyphenoxy)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methoxyphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methoxyphenoxy)-4-oxo-chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-(3-methoxyphenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(3-methoxyphenoxy)-4-oxochromen-7-olate Traditional Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-3-(3-methoxyphenoxy)chromen-7-olate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)[O-]

Isomeric SMILES

CCN1CC[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