6-ethyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 6-ethyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(1-phenyl-4-pyrazolyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C26H28N3O3+ MolecularWeight: 430.51882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)C[NH+]5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)C[NH+]5CCCCC5)O

InChI

InChI=1S/C26H27N3O3/c1-2-18-13-21-25(31)23(19-14-27-29(15-19)20-9-5-3-6-10-20)17-32-26(21)22(24(18)30)16-28-11-7-4-8-12-28/h3,5-6,9-10,13-15,17,30H,2,4,7-8,11-12,16H2,1H3/p+1