[3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(3-ethoxy-3-oxo-propyl)-7-hydroxy-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium CAS Name: [3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(3-ethoxy-3-keto-propyl)-7-hydroxy-2-keto-4-methyl-chromen-8-yl]methyl]ammonium Formula: C28H36N2O5+2 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)OC1=O)C

InChI

InChI=1S/C28H34N2O5/c1-3-34-26(32)12-10-23-19(2)22-9-11-25(31)24(27(22)35-28(23)33)17-29-21-13-15-30(16-14-21)18-20-7-5-4-6-8-20/h4-9,11,21,29,31H,3,10,12-18H2,1-2H3/p+2