2-[3-(2-methylpiperidin-1-yl)propoxy]-4-nitro-benzenecarbonitrile chloride

Systemtic Name: 2-[3-(2-methylpiperidin-1-yl)propoxy]-4-nitro-benzenecarbonitrile chloride Openeye Name: 2-[3-(2-methyl-1-piperidyl)propoxy]-4-nitro-benzonitrile chloride CAS Name: 2-[3-(2-methyl-1-piperidinyl)propoxy]-4-nitrobenzonitrile chloride IUPAC Name: 2-[3-(2-methylpiperidin-1-yl)propoxy]-4-nitrobenzonitrile chloride Traditional Name: 2-[3-(2-methylpiperidino)propoxy]-4-nitro-benzonitrile chloride Formula: C16H21ClN3O3- MolecularWeight: 338.80924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCOC2=C(C=CC(=C2)[N+](=O)[O-])C#N.[Cl-]

Isomeric SMILES

CC1CCCCN1CCCOC2=C(C=CC(=C2)[N+](=O)[O-])C#N.[Cl-]

InChI

InChI=1S/C16H21N3O3.ClH/c1-13-5-2-3-8-18(13)9-4-10-22-16-11-15(19(20)21)7-6-14(16)12-17;/h6-7,11,13H,2-5,8-10H2,1H3;1H/p-1