(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: (6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]azanium Openeye Name: (6-chloro-4-oxo-chromen-3-yl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]ammonium CAS Name: (6-chloro-4-oxo-1-benzopyran-3-yl)methyl-[3-(1-imidazolyl)propyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: (6-chloro-4-oxochromen-3-yl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]azanium Traditional Name: (6-chloro-4-keto-chromen-3-yl)methyl-(3-imidazol-1-ylpropyl)-p-anisyl-ammonium Formula: C24H25ClN3O3+ MolecularWeight: 438.9266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O3/c1-30-21-6-3-18(4-7-21)14-28(11-2-10-27-12-9-26-17-27)15-19-16-31-23-8-5-20(25)13-22(23)24(19)29/h3-9,12-13,16-17H,2,10-11,14-15H2,1H3/p+1