1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-hydroxy-3,5-dimethyl-benzyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C28H33N2O3+ MolecularWeight: 445.57322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H32N2O3/c1-19-15-21(16-20(2)27(19)31)18-30-13-11-22(12-14-30)28(32)29-26-10-5-4-9-25(26)23-7-6-8-24(17-23)33-3/h4-10,15-17,22,31H,11-14,18H2,1-3H3,(H,29,32)/p+1