2-[3-(tert-butylamino)-3-oxidanyl-propoxy]-5-chloranyl-benzenecarbonitrile hydrochloride

Systemtic Name: 2-[3-(tert-butylamino)-3-oxidanyl-propoxy]-5-chloranyl-benzenecarbonitrile hydrochloride Openeye Name: 2-[3-(tert-butylamino)-3-hydroxy-propoxy]-5-chloro-benzonitrile hydrochloride CAS Name: 2-[3-(tert-butylamino)-3-hydroxypropoxy]-5-chlorobenzonitrile hydrochloride IUPAC Name: 2-[3-(tert-butylamino)-3-hydroxypropoxy]-5-chlorobenzonitrile hydrochloride Traditional Name: 2-[3-(tert-butylamino)-3-hydroxy-propoxy]-5-chloro-benzonitrile hydrochloride Formula: C14H20Cl2N2O2 MolecularWeight: 319.2268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(CCOC1=C(C=C(C=C1)Cl)C#N)O.Cl

Isomeric SMILES

CC(C)(C)NC(CCOC1=C(C=C(C=C1)Cl)C#N)O.Cl

InChI

InChI=1S/C14H19ClN2O2.ClH/c1-14(2,3)17-13(18)6-7-19-12-5-4-11(15)8-10(12)9-16;/h4-5,8,13,17-18H,6-7H2,1-3H3;1H