4-[(3-bromanyl-5-methyl-phenyl)methoxymethyl]-4-phenyl-piperidin-1-ium chloride

Systemtic Name: 4-[(3-bromanyl-5-methyl-phenyl)methoxymethyl]-4-phenyl-piperidin-1-ium chloride Openeye Name: 4-[(3-bromo-5-methyl-phenyl)methoxymethyl]-4-phenyl-piperidin-1-ium chloride CAS Name: 4-[(3-bromo-5-methylphenyl)methoxymethyl]-4-phenylpiperidin-1-ium chloride IUPAC Name: 4-[(3-bromo-5-methylphenyl)methoxymethyl]-4-phenylpiperidin-1-ium chloride Traditional Name: 4-[(3-bromo-5-methyl-benzyl)oxymethyl]-4-phenyl-piperidin-1-ium chloride Formula: C20H25BrClNO MolecularWeight: 410.7756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Br)COCC2(CC[NH2+]CC2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)Br)COCC2(CC[NH2+]CC2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H24BrNO.ClH/c1-16-11-17(13-19(21)12-16)14-23-15-20(7-9-22-10-8-20)18-5-3-2-4-6-18;/h2-6,11-13,22H,7-10,14-15H2,1H3;1H