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

Systemtic Name: [[7-chloranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]-dimethyl-azaniumyl]methanoate Openeye Name: [[7-chloro-2-(4-pyridylamino)isoindolin-4-yl]-dimethyl-ammonio]formate CAS Name: [[7-chloro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]-dimethylammonio]formate IUPAC Name: [[7-chloro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]-dimethylazaniumyl]formate Traditional Name: [[7-chloro-2-(4-pyridylamino)isoindolin-4-yl]-dimethyl-ammonio]formate Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C2CN(CC2=C(C=C1)Cl)NC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=C2CN(CC2=C(C=C1)Cl)NC3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C16H17ClN4O2/c1-21(2,16(22)23)15-4-3-14(17)12-9-20(10-13(12)15)19-11-5-7-18-8-6-11/h3-8H,9-10H2,1-2H3,(H-,18,19,22,23)