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

Systemtic Name: 4-methyl-2-[1-phenyl-3-(1-prop-2-enylpiperidin-1-ium-1-yl)propyl]phenol chloride Openeye Name: 2-[3-(1-allylpiperidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol chloride CAS Name: 4-methyl-2-[1-phenyl-3-(1-prop-2-enyl-1-piperidin-1-iumyl)propyl]phenol chloride IUPAC Name: 4-methyl-2-[1-phenyl-3-(1-prop-2-enylpiperidin-1-ium-1-yl)propyl]phenol chloride Traditional Name: 2-[3-(1-allylpiperidin-1-ium-1-yl)-1-phenyl-propyl]-4-methyl-phenol chloride Formula: C24H32ClNO MolecularWeight: 385.96998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCCC2)CC=C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(CC[N+]2(CCCCC2)CC=C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H31NO.ClH/c1-3-15-25(16-8-5-9-17-25)18-14-22(21-10-6-4-7-11-21)23-19-20(2)12-13-24(23)26;/h3-4,6-7,10-13,19,22H,1,5,8-9,14-18H2,2H3;1H