[3-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)imidazol-4-yl] hydrogen carbonate

Systemtic Name: [3-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)imidazol-4-yl] hydrogen carbonate Openeye Name: [3-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)imidazol-4-yl] hydrogen carbonate CAS Name: carbonic acid [3-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-imidazolyl] ester IUPAC Name: [3-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)imidazol-4-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(3-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)imidazol-4-yl] ester Formula: C14H15N3O3 MolecularWeight: 273.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2CN1)N3C=NC=C3OC(=O)O

Isomeric SMILES

CC1C(C2=CC=CC=C2CN1)N3C=NC=C3OC(=O)O

InChI

InChI=1S/C14H15N3O3/c1-9-13(11-5-3-2-4-10(11)6-16-9)17-8-15-7-12(17)20-14(18)19/h2-5,7-9,13,16H,6H2,1H3,(H,18,19)