3,4-dihydro-1H-isoquinolin-2-yl-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-morpholin-4-iumylmethyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(morpholin-4-ium-4-ylmethyl)phenyl]methanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C21H24N2O2/c24-21(23-10-9-18-3-1-2-4-20(18)16-23)19-7-5-17(6-8-19)15-22-11-13-25-14-12-22/h1-8H,9-16H2/p+1