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

Systemtic Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methyl-hex-2-ynyl]piperidin-1-ium chloride Openeye Name: 1-[4-(2-benzhydryloxyethoxy)-4-methyl-hex-2-ynyl]piperidin-1-ium chloride CAS Name: 1-[4-[2-(diphenylmethyl)oxyethoxy]-4-methylhex-2-ynyl]piperidin-1-ium chloride IUPAC Name: 1-[4-(2-benzhydryloxyethoxy)-4-methylhex-2-ynyl]piperidin-1-ium chloride Traditional Name: 1-[4-(2-benzhydryloxyethoxy)-4-methyl-hex-2-ynyl]piperidin-1-ium chloride Formula: C27H36ClNO2 MolecularWeight: 442.03324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO2.ClH/c1-3-27(2,18-13-21-28-19-11-6-12-20-28)30-23-22-29-26(24-14-7-4-8-15-24)25-16-9-5-10-17-25;/h4-5,7-10,14-17,26H,3,6,11-12,19-23H2,1-2H3;1H