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

Systemtic Name: 8-chloranyl-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 8-chloro-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 8-chloro-6-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 8-chloro-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 8-chloro-4-keto-6-[(4-methylpiperazin-1-ium-1-yl)methyl]-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C18H21ClN2O3/c1-20-5-7-21(8-6-20)10-14-16(22)15(19)9-13-11-3-2-4-12(11)18(23)24-17(13)14/h9,22H,2-8,10H2,1H3