4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-1-ium-4-ol iodide

Systemtic Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-1-ium-4-ol iodide Openeye Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-1-ium-4-ol iodide CAS Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)-4-piperidin-1-iumol iodide IUPAC Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-1-ium-4-ol iodide Traditional Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-1-ium-4-ol iodide Formula: C27H31ClINO MolecularWeight: 547.89861

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H30ClNO.HI/c28-25-15-13-24(14-16-25)27(30)17-20-29(21-18-27)19-7-12-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23;/h1-6,8-11,13-16,26,30H,7,12,17-21H2;1H