4-[(6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]phenol

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC3=C(C=C2C=C1)OCO3)CC4=CC=C(C=C4)O

Isomeric SMILES

C[N+]1=C(C2=CC3=C(C=C2C=C1)OCO3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C18H15NO3/c1-19-7-6-13-9-17-18(22-11-21-17)10-15(13)16(19)8-12-2-4-14(20)5-3-12/h2-7,9-10H,8,11H2,1H3/p+1