8-(azepan-1-ium-1-ylmethyl)-4-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-4-methyl-2-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-4-methyl-2-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-2-keto-4-methyl-chromen-7-olate Formula: C17H21NO3 MolecularWeight: 287.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCCC3)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCCC3)[O-]

InChI

InChI=1S/C17H21NO3/c1-12-10-16(20)21-17-13(12)6-7-15(19)14(17)11-18-8-4-2-3-5-9-18/h6-7,10,19H,2-5,8-9,11H2,1H3