3-(4-methoxyphenyl)-2-methyl-7-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]chromen-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-7-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]chromen-4-one Openeye Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-3-(4-methoxyphenyl)-2-methyl-chromen-4-one CAS Name: 7-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-3-(4-methoxyphenyl)-2-methyl-1-benzopyran-4-one IUPAC Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one Traditional Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-3-(4-methoxyphenyl)-2-methyl-chromone Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(C[NH+]3CCCCC3)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC[C@H](C[NH+]3CCCCC3)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29NO5/c1-17-24(18-6-8-20(29-2)9-7-18)25(28)22-11-10-21(14-23(22)31-17)30-16-19(27)15-26-12-4-3-5-13-26/h6-11,14,19,27H,3-5,12-13,15-16H2,1-2H3/p+1/t19-/m0/s1