2-chloranyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate

Systemtic Name: 2-chloranyl-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Openeye Name: 2-chloro-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate CAS Name: 2-chloro-4-[(4-methyl-1-piperazin-1-iumyl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-olate IUPAC Name: 2-chloro-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Traditional Name: 2-chloro-6-keto-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Formula: C19H23ClN2O3 MolecularWeight: 362.85052

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCCC4)C(=O)O3

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCCC4)C(=O)O3

InChI

InChI=1S/C19H23ClN2O3/c1-21-6-8-22(9-7-21)11-15-17(23)16(20)10-14-12-4-2-3-5-13(12)19(24)25-18(14)15/h10,23H,2-9,11H2,1H3