4-methyl-2-[3-(1-methylazepan-1-ium-1-yl)-1-phenyl-propyl]phenol iodide

Systemtic Name: 4-methyl-2-[3-(1-methylazepan-1-ium-1-yl)-1-phenyl-propyl]phenol iodide Openeye Name: 4-methyl-2-[3-(1-methylazepan-1-ium-1-yl)-1-phenyl-propyl]phenol iodide CAS Name: 4-methyl-2-[3-(1-methyl-1-azepan-1-iumyl)-1-phenylpropyl]phenol iodide IUPAC Name: 4-methyl-2-[3-(1-methylazepan-1-ium-1-yl)-1-phenylpropyl]phenol iodide Traditional Name: 4-methyl-2-[3-(1-methylazepan-1-ium-1-yl)-1-phenyl-propyl]phenol iodide Formula: C23H32INO MolecularWeight: 465.41075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCCCC2)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCCCC2)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H31NO.HI/c1-19-12-13-23(25)22(18-19)21(20-10-6-5-7-11-20)14-17-24(2)15-8-3-4-9-16-24;/h5-7,10-13,18,21H,3-4,8-9,14-17H2,1-2H3;1H