6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-olate

Systemtic Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-olate Openeye Name: 5-hydroxy-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-phenyl-chromen-7-olate CAS Name: 5-hydroxy-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-2-phenyl-1-benzopyran-7-olate IUPAC Name: 5-hydroxy-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2-phenylchromen-7-olate Traditional Name: 5-hydroxy-4-keto-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-phenyl-chromen-7-olate Formula: C29H37N2O4+ MolecularWeight: 477.61508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCCC(C4)C)OC(=CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C3=C(C(=C2[O-])C[NH+]4CCC[C@H](C4)C)OC(=CC3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C29H36N2O4/c1-19-8-6-12-30(15-19)17-22-27(33)23(18-31-13-7-9-20(2)16-31)29-26(28(22)34)24(32)14-25(35-29)21-10-4-3-5-11-21/h3-5,10-11,14,19-20,33-34H,6-9,12-13,15-18H2,1-2H3/p+1/t19-,20+/m0/s1