[dimethyl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]azaniumyl]methanoate

Systemtic Name: [dimethyl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]azaniumyl]methanoate Openeye Name: [dimethyl-[2-(4-pyridylamino)isoindolin-4-yl]ammonio]formate CAS Name: [dimethyl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]ammonio]formate IUPAC Name: [dimethyl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]azaniumyl]formate Traditional Name: [dimethyl-[2-(4-pyridylamino)isoindolin-4-yl]ammonio]formate Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=CC2=C1CN(C2)NC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=CC=CC2=C1CN(C2)NC3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C16H18N4O2/c1-20(2,16(21)22)15-5-3-4-12-10-19(11-14(12)15)18-13-6-8-17-9-7-13/h3-9H,10-11H2,1-2H3,(H-,17,18,21,22)