4-(1,1-dimethyl-2-propyl-piperidin-1-ium-2-yl)-1,1-diphenyl-but-3-yn-1-ol

Systemtic Name: 4-(1,1-dimethyl-2-propyl-piperidin-1-ium-2-yl)-1,1-diphenyl-but-3-yn-1-ol Openeye Name: 4-(1,1-dimethyl-2-propyl-piperidin-1-ium-2-yl)-1,1-diphenyl-but-3-yn-1-ol CAS Name: 4-(1,1-dimethyl-2-propyl-2-piperidin-1-iumyl)-1,1-diphenyl-3-butyn-1-ol IUPAC Name: 4-(1,1-dimethyl-2-propylpiperidin-1-ium-2-yl)-1,1-diphenylbut-3-yn-1-ol Traditional Name: 4-(1,1-dimethyl-2-propyl-piperidin-1-ium-2-yl)-1,1-diphenyl-but-3-yn-1-ol Formula: C26H34NO+ MolecularWeight: 376.55426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC[N+]1(C)C)C#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

CCCC1(CCCC[N+]1(C)C)C#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C26H34NO/c1-4-18-25(19-11-12-22-27(25,2)3)20-13-21-26(28,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-10,14-17,28H,4,11-12,18-19,21-22H2,1-3H3/q+1