[4-(4-methoxyphenyl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [4-(4-methoxyphenyl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[7-hydroxy-4-(4-methoxyphenyl)-2-oxo-chromen-8-yl]methyl]ammonium CAS Name: [7-hydroxy-4-(4-methoxyphenyl)-2-oxo-1-benzopyran-8-yl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[7-hydroxy-4-(4-methoxyphenyl)-2-oxochromen-8-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[7-hydroxy-2-keto-4-(4-methoxyphenyl)chromen-8-yl]methyl]ammonium Formula: C29H32N2O4+2 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH2+]C4CC[NH+](CC4)CC5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3C[NH2+]C4CC[NH+](CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C29H30N2O4/c1-34-23-9-7-21(8-10-23)25-17-28(33)35-29-24(25)11-12-27(32)26(29)18-30-22-13-15-31(16-14-22)19-20-5-3-2-4-6-20/h2-12,17,22,30,32H,13-16,18-19H2,1H3/p+2