4-chloranyl-2-[1-(methylamino)hexan-3-ylsulfanyl]benzenecarbonitrile; 2-methoxyethanamine; hydrochloride

Systemtic Name: 4-chloranyl-2-[1-(methylamino)hexan-3-ylsulfanyl]benzenecarbonitrile; 2-methoxyethanamine; hydrochloride Openeye Name: 4-chloro-2-[1-[2-(methylamino)ethyl]butylsulfanyl]benzonitrile; 2-methoxyethanamine; hydrochloride CAS Name: 4-chloro-2-[1-(methylamino)hexan-3-ylthio]benzonitrile; 2-methoxyethanamine; hydrochloride IUPAC Name: 4-chloro-2-[1-(methylamino)hexan-3-ylsulfanyl]benzonitrile; 2-methoxyethanamine; hydrochloride Traditional Name: 4-chloro-2-[1-[2-(methylamino)ethyl]butylthio]benzonitrile; 2-methoxyethylamine; hydrochloride Formula: C17H29Cl2N3OS MolecularWeight: 394.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCNC)SC1=C(C=CC(=C1)Cl)C#N.COCCN.Cl

Isomeric SMILES

CCCC(CCNC)SC1=C(C=CC(=C1)Cl)C#N.COCCN.Cl

InChI

InChI=1S/C14H19ClN2S.C3H9NO.ClH/c1-3-4-13(7-8-17-2)18-14-9-12(15)6-5-11(14)10-16;1-5-3-2-4;/h5-6,9,13,17H,3-4,7-8H2,1-2H3;2-4H2,1H3;1H