5-azanyl-2-(1-ethylpiperidin-4-yl)isoindole-1,3-dione hydrate hydrochloride

Systemtic Name: 5-azanyl-2-(1-ethylpiperidin-4-yl)isoindole-1,3-dione hydrate hydrochloride Openeye Name: 5-amino-2-(1-ethyl-4-piperidyl)isoindoline-1,3-dione hydrate hydrochloride CAS Name: 5-amino-2-(1-ethyl-4-piperidinyl)isoindole-1,3-dione hydrate hydrochloride IUPAC Name: 5-amino-2-(1-ethylpiperidin-4-yl)isoindole-1,3-dione hydrate hydrochloride Traditional Name: 5-amino-2-(1-ethyl-4-piperidyl)isoindoline-1,3-quinone hydrate hydrochloride Formula: C15H22ClN3O3 MolecularWeight: 327.80648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)N.O.Cl

Isomeric SMILES

CCN1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)N.O.Cl

InChI

InChI=1S/C15H19N3O2.ClH.H2O/c1-2-17-7-5-11(6-8-17)18-14(19)12-4-3-10(16)9-13(12)15(18)20;;/h3-4,9,11H,2,5-8,16H2,1H3;1H;1H2