N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4R)-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethanamide

Systemtic Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4R)-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethanamide Openeye Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4R)-2-oxo-4-phenyl-pyrrolidin-1-yl]acetamide CAS Name: N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-2-[(4R)-2-oxo-4-phenyl-1-pyrrolidinyl]acetamide IUPAC Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide Traditional Name: N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-2-[(4R)-2-keto-4-phenyl-pyrrolidino]acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)CN2CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)CN2C[C@H](CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-3-25(4-2)22-18(11-8-12-23-22)14-24-20(27)16-26-15-19(13-21(26)28)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1