(4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl)-ethyl-methyl-propan-2-yl-azanium iodide

Systemtic Name: (4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl)-ethyl-methyl-propan-2-yl-azanium iodide Openeye Name: (4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl)-ethyl-isopropyl-methyl-ammonium iodide CAS Name: (4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-ethyl-methyl-propan-2-ylammonium iodide IUPAC Name: (4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-ethyl-methyl-propan-2-ylazanium iodide Traditional Name: (4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl)-ethyl-isopropyl-methyl-ammonium iodide Formula: C21H32INO MolecularWeight: 441.38935

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC#CC(C1CCCC1)(C2=CC=CC=C2)O)C(C)C.[I-]

Isomeric SMILES

CC[N+](C)(CC#CC(C1CCCC1)(C2=CC=CC=C2)O)C(C)C.[I-]

InChI

InChI=1S/C21H32NO.HI/c1-5-22(4,18(2)3)17-11-16-21(23,20-14-9-10-15-20)19-12-7-6-8-13-19;/h6-8,12-13,18,20,23H,5,9-10,14-15,17H2,1-4H3;1H/q+1;/p-1