1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[(3-phenyl-5-isoxazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-(4-hydroxy-3,5-dimethyl-benzyl)-4-[(3-phenylisoxazol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C24H29N2O3+ MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CCC(CC2)(CC3=CC(=NO3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H28N2O3/c1-17-12-19(13-18(2)23(17)27)16-26-10-8-24(28,9-11-26)15-21-14-22(25-29-21)20-6-4-3-5-7-20/h3-7,12-14,27-28H,8-11,15-16H2,1-2H3/p+1