4-(azocan-1-ium-1-ylmethyl)-7-methyl-chromen-2-one

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-7-methyl-chromen-2-one Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-7-methyl-chromen-2-one CAS Name: 4-(1-azocan-1-iumylmethyl)-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-7-methylchromen-2-one Traditional Name: 4-(azocan-1-ium-1-ylmethyl)-7-methyl-coumarin Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCCCCC3

InChI

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