6-chloranyl-8-[(3-imidazol-1-ylpropylazaniumyl)methyl]-3,4-dimethyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[(3-imidazol-1-ylpropylazaniumyl)methyl]-3,4-dimethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-8-[(3-imidazol-1-ylpropylammonio)methyl]-3,4-dimethyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[[3-(1-imidazolyl)propylammonio]methyl]-3,4-dimethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[(3-imidazol-1-ylpropylazaniumyl)methyl]-3,4-dimethyl-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[(3-imidazol-1-ylpropylammonio)methyl]-2-keto-3,4-dimethyl-chromen-7-olate Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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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