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

Systemtic Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methoxy-chromen-2-one Openeye Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methoxy-chromen-2-one CAS Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methoxychromen-2-one Traditional Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-7-methoxy-coumarin Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]34CCN(CC3)CC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]34CCN(CC3)CC4

InChI

InChI=1S/C17H21N2O3/c1-21-14-2-3-15-13(10-17(20)22-16(15)11-14)12-19-7-4-18(5-8-19)6-9-19/h2-3,10-11H,4-9,12H2,1H3/q+1