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

Systemtic Name: 2-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-6-methyl-phenyl]ethanenitrile hydrochloride Openeye Name: 2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-6-methyl-phenyl]acetonitrile hydrochloride CAS Name: 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylphenyl]acetonitrile hydrochloride IUPAC Name: 2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-6-methylphenyl]acetonitrile hydrochloride Traditional Name: 2-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-6-methyl-phenyl]acetonitrile hydrochloride Formula: C16H25ClN2O2 MolecularWeight: 312.8349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2.ClH/c1-12-6-5-7-15(14(12)8-9-17)20-11-13(19)10-18-16(2,3)4;/h5-7,13,18-19H,8,10-11H2,1-4H3;1H