2-(4-tert-butylphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one

Systemtic Name: 2-(4-tert-butylphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Openeye Name: 2-(4-tert-butylphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one CAS Name: 2-(4-tert-butylphenyl)-3-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 2-(4-tert-butylphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromen-4-one Traditional Name: 2-(4-tert-butylphenyl)-3-(2-piperidin-1-ium-1-ylethoxy)chromone Formula: C26H32NO3+ MolecularWeight: 406.53718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC[NH+]4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC[NH+]4CCCCC4

InChI

InChI=1S/C26H31NO3/c1-26(2,3)20-13-11-19(12-14-20)24-25(29-18-17-27-15-7-4-8-16-27)23(28)21-9-5-6-10-22(21)30-24/h5-6,9-14H,4,7-8,15-18H2,1-3H3/p+1