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

Systemtic Name: carboxy-[7-chloranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]-dimethyl-azanium Openeye Name: carboxy-[7-chloro-2-(4-pyridylamino)isoindolin-4-yl]-dimethyl-ammonium CAS Name: carboxy-[7-chloro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]-dimethylammonium IUPAC Name: carboxy-[7-chloro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]-dimethylazanium Traditional Name: carboxy-[7-chloro-2-(4-pyridylamino)isoindolin-4-yl]-dimethyl-ammonium Formula: C16H18ClN4O2+ MolecularWeight: 333.79272

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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)/p+1