(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-prop-2-ynyl-azanium

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-prop-2-ynyl-azanium Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-prop-2-ynyl-ammonium CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-prop-2-ynylammonium IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-prop-2-ynylazanium Traditional Name: (3,5-ditert-butyl-4-hydroxy-benzyl)-propargyl-ammonium Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH2+]CC#C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH2+]CC#C

InChI

InChI=1S/C18H27NO/c1-8-9-19-12-13-10-14(17(2,3)4)16(20)15(11-13)18(5,6)7/h1,10-11,19-20H,9,12H2,2-7H3/p+1