3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]propylazanium

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenoxy]propylazanium Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]propylammonium CAS Name: 3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenoxy]propylammonium IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]propylazanium Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenoxy]propylammonium Formula: C19H23N2O2+ MolecularWeight: 311.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)OCCC[NH3+]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)OCCC[NH3+]

InChI

InChI=1S/C19H22N2O2/c20-10-4-12-23-18-8-3-7-16(13-18)19(22)21-11-9-15-5-1-2-6-17(15)14-21/h1-3,5-8,13H,4,9-12,14,20H2/p+1