4-(isoquinolin-2-ium-2-ylmethyl)-7-methoxy-chromen-2-one

Systemtic Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7-methoxy-chromen-2-one Openeye Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7-methoxy-chromen-2-one CAS Name: 4-(2-isoquinolin-2-iumylmethyl)-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7-methoxychromen-2-one Traditional Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7-methoxy-coumarin Formula: C20H16NO3+ MolecularWeight: 318.34594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H16NO3/c1-23-17-6-7-18-16(10-20(22)24-19(18)11-17)13-21-9-8-14-4-2-3-5-15(14)12-21/h2-12H,13H2,1H3/q+1