(5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-(phenylmethyl)-propan-2-yl-azanium chloride

Systemtic Name: (5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-(phenylmethyl)-propan-2-yl-azanium chloride Openeye Name: benzyl-(5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)-isopropyl-ammonium chloride CAS Name: (5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-(phenylmethyl)-propan-2-ylammonium chloride IUPAC Name: benzyl-(5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-propan-2-ylazanium chloride Traditional Name: benzyl-(5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)-isopropyl-ammonium chloride Formula: C26H34ClNO MolecularWeight: 412.00726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC#CCC(C1CCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)[NH+](CC#CCC(C1CCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C26H33NO.ClH/c1-22(2)27(21-23-13-5-3-6-14-23)20-12-11-19-26(28,25-17-9-10-18-25)24-15-7-4-8-16-24;/h3-8,13-16,22,25,28H,9-10,17-21H2,1-2H3;1H