(3-chlorophenyl)methyl-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium

Systemtic Name: (3-chlorophenyl)methyl-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium Openeye Name: (3-chlorophenyl)methyl-[[7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium CAS Name: (3-chlorophenyl)methyl-[[7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: (3-chlorophenyl)methyl-[[7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl]azanium Traditional Name: (3-chlorobenzyl)-[[7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl]ammonium Formula: C21H21ClNO5+ MolecularWeight: 402.84814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC3=CC(=CC=C3)Cl)O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC3=CC(=CC=C3)Cl)O)CC(=O)OC

InChI

InChI=1S/C21H20ClNO5/c1-12-15-6-7-18(24)17(11-23-10-13-4-3-5-14(22)8-13)20(15)28-21(26)16(12)9-19(25)27-2/h3-8,23-24H,9-11H2,1-2H3/p+1