6-nitro-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride

Systemtic Name: 6-nitro-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 6-nitro-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride CAS Name: 6-nitro-2-(4-piperidinylmethyl)-3H-isoindol-1-one hydrochloride IUPAC Name: 6-nitro-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Traditional Name: 6-nitro-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride Formula: C14H18ClN3O3 MolecularWeight: 311.76402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2CC3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CNCCC1CN2CC3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H17N3O3.ClH/c18-14-13-7-12(17(19)20)2-1-11(13)9-16(14)8-10-3-5-15-6-4-10;/h1-2,7,10,15H,3-6,8-9H2;1H