6-nitro-2-[1-(phenylmethyl)piperidin-4-yl]benzo[de]isoquinoline-1,3-dione hydrochloride

Systemtic Name: 6-nitro-2-[1-(phenylmethyl)piperidin-4-yl]benzo[de]isoquinoline-1,3-dione hydrochloride Openeye Name: 2-(1-benzyl-4-piperidyl)-6-nitro-benzo[de]isoquinoline-1,3-dione hydrochloride CAS Name: 6-nitro-2-[1-(phenylmethyl)-4-piperidinyl]benzo[de]isoquinoline-1,3-dione hydrochloride IUPAC Name: 2-(1-benzylpiperidin-4-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione hydrochloride Traditional Name: 2-(1-benzyl-4-piperidyl)-6-nitro-benzo[de]isoquinoline-1,3-quinone hydrochloride Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)CC5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C24H21N3O4.ClH/c28-23-19-8-4-7-18-21(27(30)31)10-9-20(22(18)19)24(29)26(23)17-11-13-25(14-12-17)15-16-5-2-1-3-6-16;/h1-10,17H,11-15H2;1H