(5-chloranyl-2-methoxy-phenyl)methyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C21H23ClNO4+ MolecularWeight: 388.86462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=C(C=CC(=C3)Cl)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=C(C=CC(=C3)Cl)OC)O

InChI

InChI=1S/C21H22ClNO4/c1-4-13-8-17-14(9-21(25)27-20(17)10-18(13)24)11-23(2)12-15-7-16(22)5-6-19(15)26-3/h5-10,24H,4,11-12H2,1-3H3/p+1