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

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-4,7-dimethyl-5-oxidanyl-chromen-2-one Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-5-hydroxy-4,7-dimethyl-chromen-2-one CAS Name: 6-(1-azepan-1-iumylmethyl)-5-hydroxy-4,7-dimethyl-1-benzopyran-2-one IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-5-hydroxy-4,7-dimethylchromen-2-one Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-5-hydroxy-4,7-dimethyl-coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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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/p+1