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

Systemtic Name: 6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-8-[[[1-(phenylmethyl)piperidin-4-yl]azaniumyl]methyl]chromen-7-olate Openeye Name: 8-[[(1-benzyl-4-piperidyl)ammonio]methyl]-6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-8-[[[1-(phenylmethyl)-4-piperidinyl]ammonio]methyl]-1-benzopyran-7-olate IUPAC Name: 8-[[(1-benzylpiperidin-4-yl)azaniumyl]methyl]-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-olate Traditional Name: 8-[[(1-benzyl-4-piperidyl)ammonio]methyl]-6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-7-olate Formula: C26H29ClN2O5 MolecularWeight: 484.97186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN2O5/c1-16-19-12-22(27)24(31)21(25(19)34-26(32)20(16)13-23(30)33-2)14-28-18-8-10-29(11-9-18)15-17-6-4-3-5-7-17/h3-7,12,18,28,31H,8-11,13-15H2,1-2H3