N-[4-(cyanomethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C25H24N3O+ MolecularWeight: 382.47756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C25H23N3O/c26-15-13-19-7-11-24(12-8-19)27-25(29)22-9-5-20(6-10-22)17-28-16-14-21-3-1-2-4-23(21)18-28/h1-12H,13-14,16-18H2,(H,27,29)/p+1