4-(azepan-1-ium-1-ylmethyl)-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-7,8-dimethyl-chromen-2-one Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 4-(1-azepan-1-iumylmethyl)-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-7,8-dimethyl-coumarin Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H23NO2/c1-13-7-8-16-15(11-17(20)21-18(16)14(13)2)12-19-9-5-3-4-6-10-19/h7-8,11H,3-6,9-10,12H2,1-2H3/p+1