1-(1-methylcyclopentyl)-1-phenyl-4-[1-(phenylmethyl)piperidin-1-ium-1-yl]but-2-yn-1-ol

Systemtic Name: 1-(1-methylcyclopentyl)-1-phenyl-4-[1-(phenylmethyl)piperidin-1-ium-1-yl]but-2-yn-1-ol Openeye Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1-(1-methylcyclopentyl)-1-phenyl-but-2-yn-1-ol CAS Name: 1-(1-methylcyclopentyl)-1-phenyl-4-[1-(phenylmethyl)-1-piperidin-1-iumyl]-2-butyn-1-ol IUPAC Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1-(1-methylcyclopentyl)-1-phenylbut-2-yn-1-ol Traditional Name: 4-(1-benzylpiperidin-1-ium-1-yl)-1-(1-methylcyclopentyl)-1-phenyl-but-2-yn-1-ol Formula: C28H36NO+ MolecularWeight: 402.59154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CC1(CCCC1)C(C#CC[N+]2(CCCCC2)CC3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C28H36NO/c1-27(18-9-10-19-27)28(30,26-16-7-3-8-17-26)20-13-23-29(21-11-4-12-22-29)24-25-14-5-2-6-15-25/h2-3,5-8,14-17,30H,4,9-12,18-19,21-24H2,1H3/q+1