6-chloranyl-3-ethyl-4-methyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 6-chloranyl-3-ethyl-4-methyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 6-chloro-3-ethyl-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 6-chloro-3-ethyl-4-methyl-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-ethyl-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 6-chloro-3-ethyl-2-keto-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCCC3)[O-])Cl)C

Isomeric SMILES

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCCC3)[O-])Cl)C

InChI

InChI=1S/C18H22ClNO3/c1-3-12-11(2)13-9-15(19)16(21)14(17(13)23-18(12)22)10-20-7-5-4-6-8-20/h9,21H,3-8,10H2,1-2H3