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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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