N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O2/c26-21(12-15-24-14-11-17-4-1-2-5-18(17)16-24)23-19-7-9-20(10-8-19)25-13-3-6-22(25)27/h1-2,4-5,7-10H,3,6,11-16H2,(H,23,26)/p+1