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

Systemtic Name: 4-[(3-tert-butyl-5-methyl-phenyl)methoxymethyl]-4-phenyl-piperidin-1-ium chloride Openeye Name: 4-[(3-tert-butyl-5-methyl-phenyl)methoxymethyl]-4-phenyl-piperidin-1-ium chloride CAS Name: 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidin-1-ium chloride IUPAC Name: 4-[(3-tert-butyl-5-methylphenyl)methoxymethyl]-4-phenylpiperidin-1-ium chloride Traditional Name: 4-[(3-tert-butyl-5-methyl-benzyl)oxymethyl]-4-phenyl-piperidin-1-ium chloride Formula: C24H34ClNO MolecularWeight: 387.98586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO.ClH/c1-19-14-20(16-22(15-19)23(2,3)4)17-26-18-24(10-12-25-13-11-24)21-8-6-5-7-9-21;/h5-9,14-16,25H,10-13,17-18H2,1-4H3;1H