1-[(1,2-dimethylphenanthren-3-yl)methyl]piperidin-1-ium chloride

Systemtic Name: 1-[(1,2-dimethylphenanthren-3-yl)methyl]piperidin-1-ium chloride Openeye Name: 1-[(1,2-dimethyl-3-phenanthryl)methyl]piperidin-1-ium chloride CAS Name: 1-[(1,2-dimethyl-3-phenanthrenyl)methyl]piperidin-1-ium chloride IUPAC Name: 1-[(1,2-dimethylphenanthren-3-yl)methyl]piperidin-1-ium chloride Traditional Name: 1-[(1,2-dimethyl-3-phenanthryl)methyl]piperidin-1-ium chloride Formula: C22H26ClN MolecularWeight: 339.90154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=CC=CC=C3C2=CC(=C1C)C[NH+]4CCCCC4.[Cl-]

Isomeric SMILES

CC1=C2C=CC3=CC=CC=C3C2=CC(=C1C)C[NH+]4CCCCC4.[Cl-]

InChI

InChI=1S/C22H25N.ClH/c1-16-17(2)20-11-10-18-8-4-5-9-21(18)22(20)14-19(16)15-23-12-6-3-7-13-23;/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3;1H