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

Systemtic Name: 4-methyl-2-[1-phenyl-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propyl]phenol iodide Openeye Name: 2-[3-(1-allylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol iodide CAS Name: 4-methyl-2-[1-phenyl-3-(1-prop-2-enyl-1-pyrrolidin-1-iumyl)propyl]phenol iodide IUPAC Name: 4-methyl-2-[1-phenyl-3-(1-prop-2-enylpyrrolidin-1-ium-1-yl)propyl]phenol iodide Traditional Name: 2-[3-(1-allylpyrrolidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol iodide Formula: C23H30INO MolecularWeight: 463.39487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCC2)CC=C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCC2)CC=C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H29NO.HI/c1-3-14-24(15-7-8-16-24)17-13-21(20-9-5-4-6-10-20)22-18-19(2)11-12-23(22)25;/h3-6,9-12,18,21H,1,7-8,13-17H2,2H3;1H