6-(azepan-1-ium-1-ylmethyl)-4,8-dimethyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-4,8-dimethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-4,8-dimethyl-2-oxo-chromen-7-olate CAS Name: 6-(1-azepan-1-iumylmethyl)-4,8-dimethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-4,8-dimethyl-2-oxochromen-7-olate Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-2-keto-4,8-dimethyl-chromen-7-olate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCCCC3)[O-])C

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCCCC3)[O-])C

InChI

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