4-[2-[4-[(4-nitrophenoxy)methyl]-4-oxidanyl-piperidin-1-yl]ethyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[2-[4-[(4-nitrophenoxy)methyl]-4-oxidanyl-piperidin-1-yl]ethyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[2-[4-hydroxy-4-[(4-nitrophenoxy)methyl]-1-piperidyl]ethyl]benzonitrile hydrochloride CAS Name: 4-[2-[4-hydroxy-4-[(4-nitrophenoxy)methyl]-1-piperidinyl]ethyl]benzonitrile hydrochloride IUPAC Name: 4-[2-[4-hydroxy-4-[(4-nitrophenoxy)methyl]piperidin-1-yl]ethyl]benzonitrile hydrochloride Traditional Name: 4-[2-[4-hydroxy-4-[(4-nitrophenoxy)methyl]piperidino]ethyl]benzonitrile hydrochloride Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(COC2=CC=C(C=C2)[N+](=O)[O-])O)CCC3=CC=C(C=C3)C#N.Cl

Isomeric SMILES

C1CN(CCC1(COC2=CC=C(C=C2)[N+](=O)[O-])O)CCC3=CC=C(C=C3)C#N.Cl

InChI

InChI=1S/C21H23N3O4.ClH/c22-15-18-3-1-17(2-4-18)9-12-23-13-10-21(25,11-14-23)16-28-20-7-5-19(6-8-20)24(26)27;/h1-8,25H,9-14,16H2;1H