1-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperidin-1-ium

Systemtic Name: 1-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperidin-1-ium Openeye Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]piperidin-1-ium CAS Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperidin-1-ium IUPAC Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperidin-1-ium Traditional Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]piperidin-1-ium Formula: C19H28NO+ MolecularWeight: 286.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CC[NH+]2CCCCC2

InChI

InChI=1S/C19H27NO/c1-16(2)18-10-9-17(3)15-19(18)21-14-8-7-13-20-11-5-4-6-12-20/h9-10,15-16H,4-6,11-14H2,1-3H3/p+1