3-(4-methoxyphenyl)-2,8-dimethyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2,8-dimethyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 3-(4-methoxyphenyl)-2,8-dimethyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 3-(4-methoxyphenyl)-2,8-dimethyl-7-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-methoxyphenyl)-2,8-dimethyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 3-(4-methoxyphenyl)-2,8-dimethyl-7-(2-piperidin-1-ium-1-ylethoxy)chromone Formula: C25H30NO4+ MolecularWeight: 408.51

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)OC)C)OCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)OC)C)OCC[NH+]4CCCCC4

InChI

InChI=1S/C25H29NO4/c1-17-22(29-16-15-26-13-5-4-6-14-26)12-11-21-24(27)23(18(2)30-25(17)21)19-7-9-20(28-3)10-8-19/h7-12H,4-6,13-16H2,1-3H3/p+1