2-[(3-butyl-1,2-dihydroisoquinolin-1-yl)oxy]ethyl-(1-ethoxyethoxycarbonyl)-dimethyl-azanium

Systemtic Name: 2-[(3-butyl-1,2-dihydroisoquinolin-1-yl)oxy]ethyl-(1-ethoxyethoxycarbonyl)-dimethyl-azanium Openeye Name: 2-[(3-butyl-1,2-dihydroisoquinolin-1-yl)oxy]ethyl-(1-ethoxyethoxycarbonyl)-dimethyl-ammonium CAS Name: 2-[(3-butyl-1,2-dihydroisoquinolin-1-yl)oxy]ethyl-[1-ethoxyethoxy(oxo)methyl]-dimethylammonium IUPAC Name: 2-[(3-butyl-1,2-dihydroisoquinolin-1-yl)oxy]ethyl-(1-ethoxyethoxycarbonyl)-dimethylazanium Traditional Name: 2-[(3-butyl-1,2-dihydroisoquinolin-1-yl)oxy]ethyl-(1-ethoxyethoxycarbonyl)-dimethyl-ammonium Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(N1)OCC[N+](C)(C)C(=O)OC(C)OCC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(N1)OCC[N+](C)(C)C(=O)OC(C)OCC

InChI

InChI=1S/C22H35N2O4/c1-6-8-12-19-16-18-11-9-10-13-20(18)21(23-19)27-15-14-24(4,5)22(25)28-17(3)26-7-2/h9-11,13,16-17,21,23H,6-8,12,14-15H2,1-5H3/q+1