4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-ethyl-chromen-2-one

Systemtic Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-ethyl-chromen-2-one Openeye Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-ethyl-chromen-2-one CAS Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-ethylchromen-2-one Traditional Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-ethyl-coumarin Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]34CCN(CC3)CC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]34CCN(CC3)CC4

InChI

InChI=1S/C18H23N2O2/c1-2-14-3-4-16-15(12-18(21)22-17(16)11-14)13-20-8-5-19(6-9-20)7-10-20/h3-4,11-12H,2,5-10,13H2,1H3/q+1