ethyl 4-[8-[[4-[(2R)-butan-2-yl]piperazin-4-ium-1-yl]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[4-[(2R)-butan-2-yl]piperazin-4-ium-1-yl]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-2-methyl-8-[[4-[(1R)-1-methylpropyl]piperazin-4-ium-1-yl]methyl]-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[4-[(2R)-butan-2-yl]-1-piperazin-4-iumyl]methyl]-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[4-[(2R)-butan-2-yl]piperazin-4-ium-1-yl]methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-2-methyl-8-[[4-[(1R)-1-methylpropyl]piperazin-4-ium-1-yl]methyl]chromen-3-yl]oxybenzoic acid ethyl ester Formula: C28H35N2O6+ MolecularWeight: 495.5873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)O

Isomeric SMILES

CC[C@@H](C)[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)O

InChI

InChI=1S/C28H34N2O6/c1-5-18(3)30-15-13-29(14-16-30)17-23-24(31)12-11-22-25(32)26(19(4)35-27(22)23)36-21-9-7-20(8-10-21)28(33)34-6-2/h7-12,18,31H,5-6,13-17H2,1-4H3/p+1/t18-/m1/s1