[3-(3-ethoxy-3-oxidanylidene-propyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl]methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [3-(3-ethoxy-3-oxidanylidene-propyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-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-4,8-dimethyl-2-oxo-chromen-6-yl]methyl]ammonium CAS Name: [3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-6-yl]methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4,8-dimethyl-2-oxochromen-6-yl]methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[[3-(3-ethoxy-3-keto-propyl)-7-hydroxy-2-keto-4,8-dimethyl-chromen-6-yl]methyl]ammonium Formula: C29H38N2O5+2 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H36N2O5/c1-4-35-26(32)11-10-24-19(2)25-16-22(27(33)20(3)28(25)36-29(24)34)17-30-23-12-14-31(15-13-23)18-21-8-6-5-7-9-21/h5-9,16,23,30,33H,4,10-15,17-18H2,1-3H3/p+2