6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

Systemtic Name: 6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-3-(1-phenylpyrazol-4-yl)chromen-4-one Openeye Name: 6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one CAS Name: 6-ethyl-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-(1-phenylpyrazol-4-yl)chromen-4-one Traditional Name: 6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3-(1-phenylpyrazol-4-yl)chromone Formula: C28H32N3O3+ MolecularWeight: 458.57198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=O)C(=CO3)C4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=O)C(=CO3)C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3/c1-3-19-14-23-27(33)25(20-15-29-31(16-20)22-11-6-5-7-12-22)18-34-28(23)24(26(19)32)17-30-13-9-8-10-21(30)4-2/h5-7,11-12,14-16,18,21,32H,3-4,8-10,13,17H2,1-2H3/p+1/t21-/m0/s1