[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-(4-pyridylmethyl)ammonium CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-(4-pyridylmethyl)ammonium Formula: C20H20ClN2O5+ MolecularWeight: 403.8362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CC3=CC=NC=C3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CC3=CC=NC=C3)CC(=O)OC

InChI

InChI=1S/C20H19ClN2O5/c1-11-13-7-16(21)18(25)15(10-23-9-12-3-5-22-6-4-12)19(13)28-20(26)14(11)8-17(24)27-2/h3-7,23,25H,8-10H2,1-2H3/p+1