2-[7-(dimethylamino)-6-oxidanyl-5-phenoxy-heptyl]benzenecarbonitrile hydrochloride

Systemtic Name: 2-[7-(dimethylamino)-6-oxidanyl-5-phenoxy-heptyl]benzenecarbonitrile hydrochloride Openeye Name: 2-[7-(dimethylamino)-6-hydroxy-5-phenoxy-heptyl]benzonitrile hydrochloride CAS Name: 2-[7-(dimethylamino)-6-hydroxy-5-phenoxyheptyl]benzonitrile hydrochloride IUPAC Name: 2-[7-(dimethylamino)-6-hydroxy-5-phenoxyheptyl]benzonitrile hydrochloride Traditional Name: 2-[7-(dimethylamino)-6-hydroxy-5-phenoxy-heptyl]benzonitrile hydrochloride Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C(CCCCC1=CC=CC=C1C#N)OC2=CC=CC=C2)O.Cl

Isomeric SMILES

CN(C)CC(C(CCCCC1=CC=CC=C1C#N)OC2=CC=CC=C2)O.Cl

InChI

InChI=1S/C22H28N2O2.ClH/c1-24(2)17-21(25)22(26-20-13-4-3-5-14-20)15-9-8-11-18-10-6-7-12-19(18)16-23;/h3-7,10,12-14,21-22,25H,8-9,11,15,17H2,1-2H3;1H