4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenyl-but-2-yn-1-ol

Systemtic Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenyl-but-2-yn-1-ol Openeye Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenyl-but-2-yn-1-ol CAS Name: 4-(1-azepan-1-iumyl)-1-(1-ethylcyclopentyl)-1-phenyl-2-butyn-1-ol IUPAC Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenylbut-2-yn-1-ol Traditional Name: 4-(azepan-1-ium-1-yl)-1-(1-ethylcyclopentyl)-1-phenyl-but-2-yn-1-ol Formula: C23H34NO+ MolecularWeight: 340.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1)C(C#CC[NH+]2CCCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CCC1(CCCC1)C(C#CC[NH+]2CCCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C23H33NO/c1-2-22(15-8-9-16-22)23(25,21-13-6-5-7-14-21)17-12-20-24-18-10-3-4-11-19-24/h5-7,13-14,25H,2-4,8-11,15-16,18-20H2,1H3/p+1