[(1R)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-1-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(1R)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-1-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1R)-3-oxo-2-(3-pyridylmethyl)isoindolin-1-yl]-(3-pyridylmethyl)ammonium CAS Name: [(1R)-3-oxo-2-(3-pyridinylmethyl)-1H-isoindol-1-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(1R)-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindol-1-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1R)-3-keto-2-(3-pyridylmethyl)isoindolin-1-yl]-(3-pyridylmethyl)ammonium Formula: C20H19N4O+ MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CC3=CN=CC=C3)[NH2+]CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](N(C2=O)CC3=CN=CC=C3)[NH2+]CC4=CN=CC=C4

InChI

InChI=1S/C20H18N4O/c25-20-18-8-2-1-7-17(18)19(23-13-15-5-3-9-21-11-15)24(20)14-16-6-4-10-22-12-16/h1-12,19,23H,13-14H2/p+1/t19-/m1/s1