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

Systemtic Name: 2-chloranyl-6-oxidanylidene-4-(piperidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Openeye Name: 2-chloro-6-oxo-4-(piperidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate CAS Name: 2-chloro-6-oxo-4-(1-piperidin-1-iumylmethyl)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-olate IUPAC Name: 2-chloro-6-oxo-4-(piperidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Traditional Name: 2-chloro-6-keto-4-(piperidin-1-ium-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCCC4)C(=O)O3

Isomeric SMILES

C1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCCC4)C(=O)O3

InChI

InChI=1S/C19H22ClNO3/c20-16-10-14-12-6-2-3-7-13(12)19(23)24-18(14)15(17(16)22)11-21-8-4-1-5-9-21/h10,22H,1-9,11H2