4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7,8-dimethyl-chromen-2-one Openeye Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7,8-dimethyl-coumarin Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[N+]34CCN(CC3)CC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[N+]34CCN(CC3)CC4)C

InChI

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