3-[[(3S)-3-(2-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3S)-3-(2-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3S)-3-(2-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3S)-3-[(2-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3S)-3-(2-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3S)-3-o-anisoylpiperidin-1-ium-1-yl]methyl]chromone Formula: C23H24NO4+ MolecularWeight: 378.44096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23NO4/c1-27-20-10-4-2-8-18(20)22(25)16-7-6-12-24(13-16)14-17-15-28-21-11-5-3-9-19(21)23(17)26/h2-5,8-11,15-16H,6-7,12-14H2,1H3/p+1/t16-/m0/s1