1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methyl-pent-2-ynyl]piperidin-1-ium chloride

Systemtic Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methyl-pent-2-ynyl]piperidin-1-ium chloride Openeye Name: 1-[4-(2-benzhydryloxyethoxy)-4-methyl-pent-2-ynyl]piperidin-1-ium chloride CAS Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methylpent-2-ynyl]piperidin-1-ium chloride IUPAC Name: 1-[4-(2-benzhydryloxyethoxy)-4-methylpent-2-ynyl]piperidin-1-ium chloride Traditional Name: 1-[4-(2-benzhydryloxyethoxy)-4-methyl-pent-2-ynyl]piperidin-1-ium chloride Formula: C26H34ClNO2 MolecularWeight: 428.00666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC[NH+]1CCCCC1)OCCOC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)(C#CC[NH+]1CCCCC1)OCCOC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C26H33NO2.ClH/c1-26(2,17-12-20-27-18-10-5-11-19-27)29-22-21-28-25(23-13-6-3-7-14-23)24-15-8-4-9-16-24;/h3-4,6-9,13-16,25H,5,10-11,18-22H2,1-2H3;1H