4-[[2-(2,4-dimethylphenyl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 4-[[2-(2,4-dimethylphenyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-[2-(2,4-dimethylphenyl)benzyl]piperidin-1-ium-4-carboxylate Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=CC=C2CC3(CC[NH2+]CC3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=CC=C2CC3(CC[NH2+]CC3)C(=O)[O-])C

InChI

InChI=1S/C21H25NO2/c1-15-7-8-18(16(2)13-15)19-6-4-3-5-17(19)14-21(20(23)24)9-11-22-12-10-21/h3-8,13,22H,9-12,14H2,1-2H3,(H,23,24)