4-(azepan-1-ium-1-ylmethyl)-5,7-dimethyl-chromen-2-one

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-5,7-dimethyl-chromen-2-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-5,7-dimethyl-chromen-2-one CAS Name: 4-(1-azepan-1-iumylmethyl)-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-5,7-dimethylchromen-2-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-5,7-dimethyl-coumarin Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H23NO2/c1-13-9-14(2)18-15(11-17(20)21-16(18)10-13)12-19-7-5-3-4-6-8-19/h9-11H,3-8,12H2,1-2H3/p+1