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

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-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-(2-methoxy-2-oxo-ethyl)-4,8-dimethyl-2-oxo-chromen-7-olate CAS Name: 3-(2-methoxy-2-oxoethyl)-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-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxochromen-7-olate Traditional Name: 6-[[(1-benzyl-4-piperidyl)ammonio]methyl]-2-keto-3-(2-keto-2-methoxy-ethyl)-4,8-dimethyl-chromen-7-olate Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]C3CCN(CC3)CC4=CC=CC=C4)[O-])C)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]C3CCN(CC3)CC4=CC=CC=C4)[O-])C)CC(=O)OC

InChI

InChI=1S/C27H32N2O5/c1-17-22-13-20(25(31)18(2)26(22)34-27(32)23(17)14-24(30)33-3)15-28-21-9-11-29(12-10-21)16-19-7-5-4-6-8-19/h4-8,13,21,28,31H,9-12,14-16H2,1-3H3