[4-(1-ethylcyclopentyl)-4-oxidanyl-4-phenyl-but-2-ynyl]-(phenylmethyl)-propan-2-yl-azanium chloride

Systemtic Name: [4-(1-ethylcyclopentyl)-4-oxidanyl-4-phenyl-but-2-ynyl]-(phenylmethyl)-propan-2-yl-azanium chloride Openeye Name: benzyl-[4-(1-ethylcyclopentyl)-4-hydroxy-4-phenyl-but-2-ynyl]-isopropyl-ammonium chloride CAS Name: [4-(1-ethylcyclopentyl)-4-hydroxy-4-phenylbut-2-ynyl]-(phenylmethyl)-propan-2-ylammonium chloride IUPAC Name: benzyl-[4-(1-ethylcyclopentyl)-4-hydroxy-4-phenylbut-2-ynyl]-propan-2-ylazanium chloride Traditional Name: benzyl-[4-(1-ethylcyclopentyl)-4-hydroxy-4-phenyl-but-2-ynyl]-isopropyl-ammonium chloride Formula: C27H36ClNO MolecularWeight: 426.03384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1)C(C#CC[NH+](CC2=CC=CC=C2)C(C)C)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCC1(CCCC1)C(C#CC[NH+](CC2=CC=CC=C2)C(C)C)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C27H35NO.ClH/c1-4-26(18-11-12-19-26)27(29,25-16-9-6-10-17-25)20-13-21-28(23(2)3)22-24-14-7-5-8-15-24;/h5-10,14-17,23,29H,4,11-12,18-19,21-22H2,1-3H3;1H