2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-6-methyl-benzenecarbonitrile hydrochloride

Systemtic Name: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-6-methyl-benzenecarbonitrile hydrochloride Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-6-methyl-benzonitrile hydrochloride CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylbenzonitrile hydrochloride IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylbenzonitrile hydrochloride Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-6-methyl-benzonitrile hydrochloride Formula: C15H23ClN2O2 MolecularWeight: 298.80832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C#N.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(CNC(C)(C)C)O)C#N.Cl

InChI

InChI=1S/C15H22N2O2.ClH/c1-11-6-5-7-14(13(11)8-16)19-10-12(18)9-17-15(2,3)4;/h5-7,12,17-18H,9-10H2,1-4H3;1H