ethyl 4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]benzoate

Systemtic Name: ethyl 4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]benzoate Openeye Name: ethyl 4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]benzoate CAS Name: 4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]benzoate Traditional Name: 4-[(3,3,6,7-tetramethyl-4H-isoquinolin-2-ium-1-yl)amino]benzoic acid ethyl ester Formula: C22H27N2O2+ MolecularWeight: 351.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C(CC3=CC(=C(C=C32)C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C(CC3=CC(=C(C=C32)C)C)(C)C

InChI

InChI=1S/C22H26N2O2/c1-6-26-21(25)16-7-9-18(10-8-16)23-20-19-12-15(3)14(2)11-17(19)13-22(4,5)24-20/h7-12H,6,13H2,1-5H3,(H,23,24)/p+1