N-methyl-4-(2,3,6-trimethylphenoxy)but-2-yn-1-amine hydrochloride

Systemtic Name: N-methyl-4-(2,3,6-trimethylphenoxy)but-2-yn-1-amine hydrochloride Openeye Name: N-methyl-4-(2,3,6-trimethylphenoxy)but-2-yn-1-amine hydrochloride CAS Name: N-methyl-4-(2,3,6-trimethylphenoxy)-2-butyn-1-amine hydrochloride IUPAC Name: N-methyl-4-(2,3,6-trimethylphenoxy)but-2-yn-1-amine hydrochloride Traditional Name: methyl-[4-(2,3,6-trimethylphenoxy)but-2-ynyl]amine hydrochloride Formula: C14H20ClNO MolecularWeight: 253.7677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC#CCNC)C.Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC#CCNC)C.Cl

InChI

InChI=1S/C14H19NO.ClH/c1-11-7-8-12(2)14(13(11)3)16-10-6-5-9-15-4;/h7-8,15H,9-10H2,1-4H3;1H