methyl-[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-(5-oxidanylpentyl)-propan-2-yl-azanium iodide

Systemtic Name: methyl-[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl]-(5-oxidanylpentyl)-propan-2-yl-azanium iodide Openeye Name: [3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-(5-hydroxypentyl)-isopropyl-methyl-ammonium iodide CAS Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-(5-hydroxypentyl)-methyl-propan-2-ylammonium iodide IUPAC Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-(5-hydroxypentyl)-methyl-propan-2-ylazanium iodide Traditional Name: [3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl]-(5-hydroxypentyl)-isopropyl-methyl-ammonium iodide Formula: C25H38INO2 MolecularWeight: 511.47919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+](C)(CCCCCO)C(C)C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+](C)(CCCCCO)C(C)C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C25H37NO2.HI/c1-20(2)26(4,16-9-6-10-18-27)17-15-23(22-11-7-5-8-12-22)24-19-21(3)13-14-25(24)28;/h5,7-8,11-14,19-20,23,27H,6,9-10,15-18H2,1-4H3;1H