(1S)-1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-propan-1-ol iodide

Systemtic Name: (1S)-1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-propan-1-ol iodide Openeye Name: (1S)-1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-propan-1-ol iodide CAS Name: (1S)-1-cyclohexyl-3-(1-methyl-1-piperidin-1-iumyl)-1-phenyl-1-propanol iodide IUPAC Name: (1S)-1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol iodide Traditional Name: (1S)-1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-propan-1-ol iodide Formula: C21H34INO MolecularWeight: 443.40523

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC[C@](C2CCCCC2)(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C21H34NO.HI/c1-22(16-9-4-10-17-22)18-15-21(23,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2,5-6,11-12,20,23H,3-4,7-10,13-18H2,1H3;1H/q+1;/p-1/t21-;/m1./s1