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

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-propyl)-4,8-dimethyl-2-oxidanylidene-6-[[[1-(phenylmethyl)piperidin-4-yl]azaniumyl]methyl]chromen-7-olate Openeye Name: 6-[[(1-benzyl-4-piperidyl)ammonio]methyl]-3-(3-ethoxy-3-oxo-propyl)-4,8-dimethyl-2-oxo-chromen-7-olate CAS Name: 3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxo-6-[[[1-(phenylmethyl)-4-piperidinyl]ammonio]methyl]-1-benzopyran-7-olate IUPAC Name: 6-[[(1-benzylpiperidin-4-yl)azaniumyl]methyl]-3-(3-ethoxy-3-oxopropyl)-4,8-dimethyl-2-oxochromen-7-olate Traditional Name: 6-[[(1-benzyl-4-piperidyl)ammonio]methyl]-3-(3-ethoxy-3-keto-propyl)-2-keto-4,8-dimethyl-chromen-7-olate Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)[O-])C[NH2+]C3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)[O-])C[NH2+]C3CCN(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