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

Systemtic Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)-1-methyl-piperidin-1-ium-4-ol iodide Openeye Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)-1-methyl-piperidin-1-ium-4-ol iodide CAS Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)-1-methyl-4-piperidin-1-iumol iodide IUPAC Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)-1-methylpiperidin-1-ium-4-ol iodide Traditional Name: 4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)-1-methyl-piperidin-1-ium-4-ol iodide Formula: C28H33ClINO MolecularWeight: 561.92519

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C28H33ClNO.HI/c1-30(21-18-28(31,19-22-30)25-14-16-26(29)17-15-25)20-8-13-27(23-9-4-2-5-10-23)24-11-6-3-7-12-24;/h2-7,9-12,14-17,27,31H,8,13,18-22H2,1H3;1H/q+1;/p-1