(6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (6-chloranyl-3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (6-chloro-7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (6-chloro-7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl-(3-imidazol-1-ylpropyl)ammonium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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+]CCCN3C=CN=C3)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCCN3C=CN=C3)C

InChI

InChI=1S/C18H20ClN3O3/c1-11-12(2)18(24)25-17-13(11)8-15(19)16(23)14(17)9-20-4-3-6-22-7-5-21-10-22/h5,7-8,10,20,23H,3-4,6,9H2,1-2H3/p+1