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

Systemtic Name: [diethyl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]azaniumyl]methanoate hydrochloride Openeye Name: [diethyl-[2-(4-pyridylamino)isoindolin-4-yl]ammonio]formate hydrochloride CAS Name: [diethyl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]ammonio]formate hydrochloride IUPAC Name: [diethyl-[2-(pyridin-4-ylamino)-1,3-dihydroisoindol-4-yl]azaniumyl]formate hydrochloride Traditional Name: [diethyl-[2-(4-pyridylamino)isoindolin-4-yl]ammonio]formate hydrochloride Formula: C18H23ClN4O2 MolecularWeight: 362.85382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2.ClH/c1-3-22(4-2,18(23)24)17-7-5-6-14-12-21(13-16(14)17)20-15-8-10-19-11-9-15;/h5-11H,3-4,12-13H2,1-2H3,(H-,19,20,23,24);1H