4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl-(phenylmethyl)azanium

Systemtic Name: 4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl-(phenylmethyl)azanium Openeye Name: benzyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]ammonium CAS Name: 4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]azanium Traditional Name: benzyl-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]ammonium Formula: C21H26NO+ MolecularWeight: 308.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CC[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CC[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C21H25NO/c1-17(2)20-12-11-18(3)15-21(20)23-14-8-7-13-22-16-19-9-5-4-6-10-19/h4-6,9-12,15,17,22H,13-14,16H2,1-3H3/p+1