1,1-diethylazetidin-1-ium; N,N-diethyl-2-[(phenylmethyl)amino]pyridine-3-carboxamide

Systemtic Name: 1,1-diethylazetidin-1-ium; N,N-diethyl-2-[(phenylmethyl)amino]pyridine-3-carboxamide Openeye Name: 2-(benzylamino)-N,N-diethyl-pyridine-3-carboxamide; 1,1-diethylazetidin-1-ium CAS Name: 1,1-diethylazetidin-1-ium; N,N-diethyl-2-[(phenylmethyl)amino]-3-pyridinecarboxamide IUPAC Name: 2-(benzylamino)-N,N-diethylpyridine-3-carboxamide; 1,1-diethylazetidin-1-ium Traditional Name: 2-(benzylamino)-N,N-diethyl-nicotinamide; 1,1-diethylazetidin-1-ium Formula: C24H37N4O+ MolecularWeight: 397.57678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(N=CC=C1)NCC2=CC=CC=C2.CC[N+]1(CCC1)CC

Isomeric SMILES

CCN(CC)C(=O)C1=C(N=CC=C1)NCC2=CC=CC=C2.CC[N+]1(CCC1)CC

InChI

InChI=1S/C17H21N3O.C7H16N/c1-3-20(4-2)17(21)15-11-8-12-18-16(15)19-13-14-9-6-5-7-10-14;1-3-8(4-2)6-5-7-8/h5-12H,3-4,13H2,1-2H3,(H,18,19);3-7H2,1-2H3/q;+1