4-methoxy-6-(phenylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Systemtic Name: 4-methoxy-6-(phenylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: 6-benzyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: 4-methoxy-6-(phenylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: 6-benzyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: 6-benzyl-4-methoxy-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C18H16NO3+ MolecularWeight: 294.32454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=[N+](C=CC2=CC3=C1OCO3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C=[N+](C=CC2=CC3=C1OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C18H16NO3/c1-20-17-15-11-19(10-13-5-3-2-4-6-13)8-7-14(15)9-16-18(17)22-12-21-16/h2-9,11H,10,12H2,1H3/q+1