5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide

Systemtic Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide Openeye Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide CAS Name: 5-(1-methyl-1-azepan-1-iumyl)-1,1-diphenyl-3-pentyn-1-ol iodide IUPAC Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol iodide Traditional Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol iodide Formula: C24H30INO MolecularWeight: 475.40557

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C24H30NO.HI/c1-25(19-11-2-3-12-20-25)21-13-10-18-24(26,22-14-6-4-7-15-22)23-16-8-5-9-17-23;/h4-9,14-17,26H,2-3,11-12,18-21H2,1H3;1H/q+1;/p-1