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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C21H25N2O+ MolecularWeight: 321.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O/c24-21(23-14-11-18-5-1-2-6-20(18)16-23)19-9-7-17(8-10-19)15-22-12-3-4-13-22/h1-2,5-10H,3-4,11-16H2/p+1