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

Systemtic Name: 8-chloranyl-6-[(3-imidazol-1-ylpropylazaniumyl)methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 8-chloro-6-[(3-imidazol-1-ylpropylammonio)methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 8-chloro-6-[[3-(1-imidazolyl)propylammonio]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 8-chloro-6-[(3-imidazol-1-ylpropylazaniumyl)methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 8-chloro-6-[(3-imidazol-1-ylpropylammonio)methyl]-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=C(C(=C(C=C23)Cl)[O-])C[NH2+]CCCN4C=CN=C4

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=C(C(=C(C=C23)Cl)[O-])C[NH2+]CCCN4C=CN=C4

InChI

InChI=1S/C19H20ClN3O3/c20-16-9-14-12-3-1-4-13(12)19(25)26-18(14)15(17(16)24)10-21-5-2-7-23-8-6-22-11-23/h6,8-9,11,21,24H,1-5,7,10H2