6-(azepan-1-ium-1-ylmethyl)-4,7-dimethyl-2-oxidanylidene-chromen-5-olate

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-4,7-dimethyl-2-oxidanylidene-chromen-5-olate Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-4,7-dimethyl-2-oxo-chromen-5-olate CAS Name: 6-(1-azepan-1-iumylmethyl)-4,7-dimethyl-2-oxo-1-benzopyran-5-olate IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-4,7-dimethyl-2-oxochromen-5-olate Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-2-keto-4,7-dimethyl-chromen-5-olate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1C[NH+]3CCCCCC3)[O-]

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1C[NH+]3CCCCCC3)[O-]

InChI

InChI=1S/C18H23NO3/c1-12-9-15-17(13(2)10-16(20)22-15)18(21)14(12)11-19-7-5-3-4-6-8-19/h9-10,21H,3-8,11H2,1-2H3