(5-oxidanyl-5,5-diphenyl-pent-2-ynyl)-(phenylmethyl)-propan-2-yl-azanium chloride

Systemtic Name: (5-oxidanyl-5,5-diphenyl-pent-2-ynyl)-(phenylmethyl)-propan-2-yl-azanium chloride Openeye Name: benzyl-(5-hydroxy-5,5-diphenyl-pent-2-ynyl)-isopropyl-ammonium chloride CAS Name: (5-hydroxy-5,5-diphenylpent-2-ynyl)-(phenylmethyl)-propan-2-ylammonium chloride IUPAC Name: benzyl-(5-hydroxy-5,5-diphenylpent-2-ynyl)-propan-2-ylazanium chloride Traditional Name: benzyl-(5-hydroxy-5,5-diphenyl-pent-2-ynyl)-isopropyl-ammonium chloride Formula: C27H30ClNO MolecularWeight: 419.9862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC#CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)[NH+](CC#CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C27H29NO.ClH/c1-23(2)28(22-24-14-6-3-7-15-24)21-13-12-20-27(29,25-16-8-4-9-17-25)26-18-10-5-11-19-26;/h3-11,14-19,23,29H,20-22H2,1-2H3;1H